{"artifacts":{"doi:10.1007/bf02873004/p2/tab-1":{"artifact":"table","caption":"Ca-Ba Crystal Structure and Lattice Parameter Data","label":"1","page":2},"doi:10.1007/s11661-005-0133-0/p3/tab-i":{"artifact":"table","caption":"The Calculated Lattice Constants of Al and Ca Allotropes","label":"I","page":3},"doi:10.1007/s11661-005-0133-0/p4/tab-iii":{"artifact":"table","caption":"Crystallographic Information of the Compounds in Al-Ca","label":"III","page":4},"doi:10.1007/s11661-005-0133-0/p5/tab-iv":{"artifact":"table","caption":"Calculated and Measured Enthalpies of Formation for Al-Ca Compounds","label":"IV","page":5},"doi:10.1016/j.actamat.2006.06.017/p4/tab-2":{"artifact":"table","caption":"Calculated and experimental thermodynamic and structural data for face-centered cubic a-Ca and tetragonal b-Sn","label":"2","page":4},"doi:10.1016/j.ijhydene.2011.08.018/p5/tab-3":{"artifact":"table","caption":"e Structural parameters and formation enthalpy for CaH 2 compounds (The formation enthalpy is referred to pure elements at the stable state, the experimental data are listed in Parentheses).","label":"3","page":5},"doi:10.1016/j.jallcom.2005.10.033/p4/tab-1":{"artifact":"table","caption":"Calculated total energies and lattice constants of Ca and Mg allotropes by LSDA and GGA from WIEN2K and VASP","label":"1","page":4},"doi:10.1016/j.jallcom.2007.06.064/p3/tab-3":{"artifact":"table","caption":"Invariant reactions in the Ca–Ag system","label":"3","page":3},"doi:10.1016/j.jallcom.2007.09.020/p2/tab-1":{"artifact":"table","caption":"Enthalpies of mixing of bcc solutions","label":"1","page":2},"doi:10.1016/j.tca.2004.01.001/p4/tab-3":{"artifact":"table","caption":"Calculated and experimental (values in parentheses) temperatures and compositions of invariant reactions in the Ca–Pb system","label":"3","page":4},"doi:10.1016/s0364-5916(96)00022-3/p2/text-19":{"artifact":"text_passage","label":"page 2, passage 19","page":2},"doi:10.1179/cmq.2005.44.4.523/p5/tab-ii":{"artifact":"table","caption":"– Comparison between calculated and experimental values of the invariant reactions in the Mg-Ca system","label":"II","page":5},"doi:10.1179/cmq.2005.44.4.523/p8/tab-iv":{"artifact":"table","caption":"– Comparison between calculated and experimental values of the invariant reactions in the Al-Ca system","label":"IV","page":8},"sha256:89187a5b0c5f0dd3/p2/tab-i":{"artifact":"table","caption":"Ca-V, Or-V, and Ba-Y Crystal Structure and Lattice Parameter Data","label":"I","page":2},"sha256:a7cbade1719f2946/p4/tab-2":{"artifact":"table","caption":"Structure properties and enthalpy of formation for Ca–Mg–Sr ternary system in a variety of order structure type","label":"2","page":4},"sha256:cb38fae1d94c72fa/p2/tab-1":{"artifact":"table","caption":"Crystal structure data on the Ga–X (X ¼ B, Ca, Sr, Ba) systems.","label":"1","page":2}},"cite_as":{"also_cite":["the original source of every value you use (paper_citation / paper_doi, and cited_dois for values the paper cites from earlier work)"],"bibtex":"@misc{orchid_literature_2026,\n  author    = {Arr{\\'o}yave, Raymundo and Saal, James and Shin, Dongwon},\n  title     = {{ORCHID-Values: thermodynamic and phase-equilibrium values read from the literature}},\n  version   = {2026.10},\n  publisher = {Zenodo},\n  year      = {2026},\n  doi       = {10.5281/zenodo.23735569},\n  url       = {https://doi.org/10.5281/zenodo.23735569},\n  note      = {Version 1, machine-extracted}\n}","dataset":"literature","doi":"10.5281/zenodo.23735569","license":"CC-BY-4.0","part_of":{"bibtex":"@misc{orchid_data_2026,\n  author    = {Arr{\\'o}yave, Raymundo and Saal, James and Shin, Dongwon},\n  title     = {{ORCHID data: umbrella record of the ORCHID datasets}},\n  version   = {2026.10},\n  publisher = {Zenodo},\n  year      = {2026},\n  doi       = {10.5281/zenodo.23736065},\n  url       = {https://doi.org/10.5281/zenodo.23736065},\n  note      = {Version 1, machine-extracted}\n}","doi":"10.5281/zenodo.23736065","text":"R. Arróyave, J. Saal, D. Shin, ORCHID data: umbrella record of the ORCHID datasets (version 2026.10; Version 1, machine-extracted), Zenodo (2026). https://doi.org/10.5281/zenodo.23736065","title":"ORCHID data: umbrella record of the ORCHID datasets","url":"https://doi.org/10.5281/zenodo.23736065"},"release_tag":"v2026.10","status":"Version 1, machine-extracted: values were read by language-model readers constrained to quote their source and checked automatically, and the release was then audited on the printed pages by adversarial audits, an independent second review of fit-facing records and a preliminary human review of a frozen sample. Flags such as accepted and ESPEI-ready record screening results, not certification; known issues are listed in the release notes.","text":"R. Arróyave, J. Saal, D. Shin, ORCHID-Values: thermodynamic and phase-equilibrium values read from the literature (version 2026.10; Version 1, machine-extracted), Zenodo (2026). https://doi.org/10.5281/zenodo.23735569","title":"ORCHID-Values: thermodynamic and phase-equilibrium values read from the literature","url":"https://doi.org/10.5281/zenodo.23735569","version":"2026.10"},"contexts":{},"elements":["CA"],"licence":"CC BY 4.0 (ORCHID data; quotes are short excerpts kept for verification, the publishers' copyright, not relicensed)","models":{"M073b51bc":{"catalog_entry":{"license":"CC BY 4.0","name":"CaPb-04Car.tdb","source_url":"https://doi.org/10.1016/j.calphad.2025.102833","tier":"bundled"},"link_basis":"reporting_paper_own_model","model_doi":"10.1016/j.tca.2004.01.001","reproduced_by_calculation":false,"tdb":"CaPb-04Car.tdb","tdb_path":"databases/sgte-binary/CaPb-04Car.tdb","tdb_sha256":"189da9f48238a281880f6dd45f8bd40ae6124ab40a5243ee040846e0353af3f9"},"M487fe799":{"catalog_entry":{"license":"CC BY 4.0","name":"AgCa-08Hua.tdb","source_url":"https://doi.org/10.1016/j.calphad.2025.102833","tier":"bundled"},"link_basis":"reporting_paper_own_model","model_citation":"J. Alloys Compd., 460, 375-78(2008).","model_doi":"10.1016/j.jallcom.2007.06.064","reproduced_by_calculation":false,"tdb":"AgCa-08Hua.tdb","tdb_path":"databases/sgte-binary/AgCa-08Hua.tdb","tdb_sha256":"426decd914817145440ee6335206476c92b072efeb6bde4fee66c8652a6f0c0d"},"M6ba35d7c":{"catalog_entry":{"license":"CC BY 4.0","name":"AlCa-05Isl.tdb","source_url":"https://doi.org/10.1016/j.calphad.2025.102833","tier":"bundled"},"link_basis":"reporting_paper_own_model","model_doi":"10.1179/cmq.2005.44.4.523","reproduced_by_calculation":false,"tdb":"AlCa-05Isl.tdb","tdb_path":"databases/sgte-binary/AlCa-05Isl.tdb","tdb_sha256":"595cde9e1659c565d74079d9104fdf1eaac723bfec572a9ee04c021587b6c00b"},"Ma1e4c1b9":{"catalog_entry":{"license":"CC BY 4.0","name":"CaMg-05Isl.tdb","source_url":"https://doi.org/10.1016/j.calphad.2025.102833","tier":"bundled"},"link_basis":"reporting_paper_own_model","model_doi":"10.1179/cmq.2005.44.4.523","reproduced_by_calculation":false,"tdb":"CaMg-05Isl.tdb","tdb_path":"databases/sgte-binary/CaMg-05Isl.tdb","tdb_sha256":"89c94b67c90207421c18567fc55afcbaa8d6cba7c78db9b994e8adb5baf1e9ae"}},"note":"records[].locator.ref -> artifacts; records[].model -> models (full records: orchid-literature.jsonl.gz)","papers":{"doi:10.1007/bf02868307":{"authors":["H. W. King"],"citation":"H. W. King, Crystal structures of the elements at 25°C, Bulletin of Alloy Phase Diagrams 2, 401-402 (1981).","container":"Bulletin of Alloy Phase Diagrams","doi":"10.1007/bf02868307","doi_url":"https://doi.org/10.1007/bf02868307","id":"doi:10.1007/bf02868307","kind":"cited_work","metadata_source":"crossref","roles":["cited_source"],"source_kinds":["cited_work"],"title":"Crystal structures of the elements at 25°C","year":1981},"doi:10.1007/bf02873004":{"authors":["C. B. Alcock","V. P. Itkin"],"citation":"C. B. Alcock, V. P. Itkin, The Ba−Ca (Barium-Calcium) system, Bulletin of Alloy Phase Diagrams 7, 338-340 (1986).","container":"Bulletin of Alloy Phase Diagrams","doi":"10.1007/bf02873004","doi_url":"https://doi.org/10.1007/bf02873004","id":"doi:10.1007/bf02873004","kind":"corpus_paper","metadata_source":"crossref","pdf_sha256_prefix":"5e89123128d11930","roles":["reporting_paper"],"source_kinds":["journal_article"],"title":"The Ba−Ca (Barium-Calcium) system","year":1986},"doi:10.1007/bf02881269":{"citation":"M.R. Baren, Bull. Alloy Phase Diagram 9 (3) (1988) 228–231.","doi":"10.1007/bf02881269","doi_url":"https://doi.org/10.1007/bf02881269","id":"doi:10.1007/bf02881269","kind":"cited_work","metadata_source":"printed_reference","roles":["cited_source"],"source_kinds":["cited_work"]},"doi:10.1007/bf02881868":{"authors":["J. F. Smith","K. J. Lee"],"citation":"J. F. Smith, K. J. Lee, The Ca−V (Calcium-Vanadium), Sr−V (strontium-Vandadium), and Ba−V (Barium-Vanadium) systems, Bulletin of Alloy Phase Diagrams 9, 466-469 (1988).","container":"Bulletin of Alloy Phase Diagrams","doi":"10.1007/bf02881868","doi_url":"https://doi.org/10.1007/bf02881868","id":"doi:10.1007/bf02881868","kind":"corpus_paper","metadata_source":"crossref","pdf_sha256_prefix":"89187a5b0c5f0dd3","roles":["reporting_paper"],"source_kinds":["journal_article"],"title":"The Ca−V (Calcium-Vanadium), Sr−V (strontium-Vandadium), and Ba−V (Barium-Vanadium) systems","year":1988},"doi:10.1007/bf02892394":{"authors":["H. W. King"],"citation":"H. W. King, Temperature-dependent allotropic structures of the elements, Bulletin of Alloy Phase Diagrams 3, 276-276 (1982).","container":"Bulletin of Alloy Phase Diagrams","doi":"10.1007/bf02892394","doi_url":"https://doi.org/10.1007/bf02892394","id":"doi:10.1007/bf02892394","kind":"cited_work","metadata_source":"crossref","roles":["cited_source"],"source_kinds":["cited_work"],"title":"Temperature-dependent allotropic structures of the elements","year":1982},"doi:10.1007/s11661-005-0133-0":{"authors":["Koray Ozturk","Yu Zhong","Long-Qing Chen","Zi-Kui Liu","Jorge O. Sofo","C. Wolverton"],"citation":"Koray Ozturk, Yu Zhong, Long-Qing Chen, Zi-Kui Liu, Jorge O. Sofo, C. Wolverton, Linking first-principles energetics to CALPHAD: An application to thermodynamic modeling of the Al-Ca binary system, Metall Mater Trans A 36, 5-13 (2005).","container":"Metall Mater Trans A","doi":"10.1007/s11661-005-0133-0","doi_url":"https://doi.org/10.1007/s11661-005-0133-0","id":"doi:10.1007/s11661-005-0133-0","kind":"corpus_paper","metadata_source":"crossref","pdf_sha256_prefix":"48378842cc7d8d77","roles":["reporting_paper"],"source_kinds":["journal_article"],"title":"Linking first-principles energetics to CALPHAD: An application to thermodynamic modeling of the Al-Ca binary system","year":2005},"doi:10.1016/j.actamat.2006.06.017":{"authors":["M OHNO","A KOZLOV","R ARROYAVE","Z LIU","R SCHMIDFETZER"],"citation":"M OHNO, A KOZLOV, R ARROYAVE, Z LIU, R SCHMIDFETZER, Thermodynamic modeling of the Ca–Sn system based on finite temperature quantities from first-principles and experiment, Acta Materialia 54, 4939-4951 (2006).","container":"Acta Materialia","doi":"10.1016/j.actamat.2006.06.017","doi_url":"https://doi.org/10.1016/j.actamat.2006.06.017","id":"doi:10.1016/j.actamat.2006.06.017","kind":"corpus_paper","metadata_source":"crossref","pdf_sha256_prefix":"6ff116ad7ee3c5d9","roles":["reporting_paper"],"source_kinds":["journal_article"],"title":"Thermodynamic modeling of the Ca–Sn system based on finite temperature quantities from first-principles and experiment","year":2006},"doi:10.1016/j.calphad.2013.09.002":{"authors":["Xi Li","Kaiming Cheng","Xiaoming Yuan","Dongdong Zhao","Jinghua Xin","Weiwei Wang","Cong Zhang","Yong Du"],"citation":"Xi Li, Kaiming Cheng, Xiaoming Yuan, Dongdong Zhao, Jinghua Xin, Weiwei Wang et al., Thermodynamic assessment of the Ga–X (X=B, Ca, Sr, Ba) systems supported by first-principles calculations, Calphad 43, 52-60 (2013).","container":"Calphad","doi":"10.1016/j.calphad.2013.09.002","doi_url":"https://doi.org/10.1016/j.calphad.2013.09.002","id":"doi:10.1016/j.calphad.2013.09.002","kind":"corpus_paper","metadata_source":"crossref","pdf_sha256_prefix":"cb38fae1d94c72fa","roles":["reporting_paper"],"source_kinds":["journal_article"],"title":"Thermodynamic assessment of the Ga–X (X=B, Ca, Sr, Ba) systems supported by first-principles calculations","year":2013},"doi:10.1016/j.ijhydene.2011.08.018":{"authors":["Kun Wang","Junlin Du","Xiangcheng Kong","Xiaoqin Zeng","Jianxin Zou","Zhilin Li","Zhu Wu"],"citation":"Kun Wang, Junlin Du, Xiangcheng Kong, Xiaoqin Zeng, Jianxin Zou, Zhilin Li et al., Ab initio and thermodynamic investigation on the Ca–H system, International Journal of Hydrogen Energy 36, 13632-13639 (2011).","container":"International Journal of Hydrogen Energy","doi":"10.1016/j.ijhydene.2011.08.018","doi_url":"https://doi.org/10.1016/j.ijhydene.2011.08.018","id":"doi:10.1016/j.ijhydene.2011.08.018","kind":"corpus_paper","metadata_source":"crossref","pdf_sha256_prefix":"51638e901963a18d","roles":["reporting_paper"],"source_kinds":["journal_article"],"title":"Ab initio and thermodynamic investigation on the Ca–H system","year":2011},"doi:10.1016/j.jallcom.2005.09.076":{"authors":["Yu Zhong","Jorge O. Sofo","Alan A. Luo","Zi-Kui Liu"],"citation":"Yu Zhong, Jorge O. Sofo, Alan A. Luo, Zi-Kui Liu, Thermodynamics modeling of the Mg–Sr and Ca–Mg–Sr systems, Journal of Alloys and Compounds 421, 172-178 (2006).","container":"Journal of Alloys and Compounds","doi":"10.1016/j.jallcom.2005.09.076","doi_url":"https://doi.org/10.1016/j.jallcom.2005.09.076","id":"doi:10.1016/j.jallcom.2005.09.076","kind":"corpus_paper","metadata_source":"crossref","pdf_sha256_prefix":"a7cbade1719f2946","roles":["reporting_paper"],"source_kinds":["journal_article"],"title":"Thermodynamics modeling of the Mg–Sr and Ca–Mg–Sr systems","year":2006},"doi:10.1016/j.jallcom.2005.10.033":{"authors":["Yu Zhong","Koray Ozturk","Jorge O. Sofo","Zi-Kui Liu"],"citation":"Yu Zhong, Koray Ozturk, Jorge O. Sofo, Zi-Kui Liu, Contribution of first-principles energetics to the Ca–Mg thermodynamic modeling, Journal of Alloys and Compounds 420, 98-106 (2006).","container":"Journal of Alloys and Compounds","doi":"10.1016/j.jallcom.2005.10.033","doi_url":"https://doi.org/10.1016/j.jallcom.2005.10.033","id":"doi:10.1016/j.jallcom.2005.10.033","kind":"corpus_paper","metadata_source":"crossref","pdf_sha256_prefix":"029c6f101194fbf9","roles":["reporting_paper"],"source_kinds":["journal_article"],"title":"Contribution of first-principles energetics to the Ca–Mg thermodynamic modeling","year":2006},"doi:10.1016/j.jallcom.2007.06.064":{"authors":["G.X. Huang","L.B. Liu","B.R. Jia","L.G. Zhang","Z.P. Jin"],"citation":"G.X. Huang, L.B. Liu, B.R. Jia, L.G. Zhang, Z.P. Jin, Thermodynamic modeling of the Ca–Ag binary system, Journal of Alloys and Compounds 460, 375-378 (2008).","container":"Journal of Alloys and Compounds","doi":"10.1016/j.jallcom.2007.06.064","doi_url":"https://doi.org/10.1016/j.jallcom.2007.06.064","id":"doi:10.1016/j.jallcom.2007.06.064","kind":"corpus_paper","metadata_source":"crossref","pdf_sha256_prefix":"2f1593b51aae6a18","roles":["reporting_paper"],"source_kinds":["journal_article"],"title":"Thermodynamic modeling of the Ca–Ag binary system","year":2008},"doi:10.1016/j.jallcom.2007.09.020":{"authors":["Hui Zhang","Yi Wang","Shunli Shang","Long-Qing Chen","Zi-Kui Liu"],"citation":"Hui Zhang, Yi Wang, Shunli Shang, Long-Qing Chen, Zi-Kui Liu, Thermodynamic modeling of Mg–Ca–Ce system by combining first-principles and CALPHAD method, Journal of Alloys and Compounds 463, 294-301 (2008).","container":"Journal of Alloys and Compounds","doi":"10.1016/j.jallcom.2007.09.020","doi_url":"https://doi.org/10.1016/j.jallcom.2007.09.020","id":"doi:10.1016/j.jallcom.2007.09.020","kind":"corpus_paper","metadata_source":"crossref","pdf_sha256_prefix":"1e58c4d8d78ac46a","roles":["reporting_paper"],"source_kinds":["journal_article"],"title":"Thermodynamic modeling of Mg–Ca–Ce system by combining first-principles and CALPHAD method","year":2008},"doi:10.1016/j.tca.2004.01.001":{"authors":["Y. Cartigny","J.M. Fiorani","A. Maı̂tre","M. Vilasi"],"citation":"Y. Cartigny, J.M. Fiorani, A. Maı̂tre, M. Vilasi, Thermodynamic assessment of the Ca–Pb system, Thermochimica Acta 414, 197-202 (2004).","container":"Thermochimica Acta","doi":"10.1016/j.tca.2004.01.001","doi_url":"https://doi.org/10.1016/j.tca.2004.01.001","id":"doi:10.1016/j.tca.2004.01.001","kind":"cited_work","metadata_source":"crossref","roles":["cited_source","reporting_paper"],"source_kinds":["cited_work"],"title":"Thermodynamic assessment of the Ca–Pb system","year":2004},"doi:10.1016/s0364-5916(96)00022-3":{"authors":["Daniel Risold","Bengt Hallstedt","Ludwig J. Gauckler","Hans Leo Lukas","Suzana G. Fries"],"citation":"Daniel Risold, Bengt Hallstedt, Ludwig J. Gauckler, Hans Leo Lukas, Suzana G. Fries, Thermodynamic optimization of the Ca-Cu and Sr-Cu systems, Calphad 20, 151-160 (1996).","container":"Calphad","doi":"10.1016/s0364-5916(96)00022-3","doi_url":"https://doi.org/10.1016/s0364-5916(96)00022-3","id":"doi:10.1016/s0364-5916(96)00022-3","kind":"corpus_paper","metadata_source":"crossref","pdf_sha256_prefix":"550c2c725a0f0aa7","roles":["reporting_paper"],"source_kinds":["journal_article"],"title":"Thermodynamic optimization of the Ca-Cu and Sr-Cu systems","year":1996},"doi:10.1107/s0365110x59001268":{"authors":["B. T. Bernstein","J. F. Smith"],"citation":"B. T. Bernstein, J. F. Smith, Coefficients of thermal expansion for face-centered cubic and body-centered cubic calcium, Acta Cryst 12, 419-420 (1959).","container":"Acta Cryst","doi":"10.1107/s0365110x59001268","doi_url":"https://doi.org/10.1107/s0365110x59001268","id":"doi:10.1107/s0365110x59001268","kind":"cited_work","metadata_source":"crossref","roles":["cited_source"],"source_kinds":["cited_work"],"title":"Coefficients of thermal expansion for face-centered cubic and body-centered cubic calcium","year":1959},"doi:10.1179/cmq.2005.44.4.523":{"authors":["F. ISLAM","M. MEDRAJ"],"citation":"F. ISLAM, M. MEDRAJ, THERMODYNAMIC MODELLING OF THE Mg-Al-Ca SYSTEM, Canadian Metallurgical Quarterly 44, 523-536 (2005).","container":"Canadian Metallurgical Quarterly","doi":"10.1179/cmq.2005.44.4.523","doi_url":"https://doi.org/10.1179/cmq.2005.44.4.523","id":"doi:10.1179/cmq.2005.44.4.523","kind":"corpus_paper","metadata_source":"crossref","pdf_sha256_prefix":"a73e5208e2ceb16d","roles":["reporting_paper"],"source_kinds":["journal_article"],"title":"THERMODYNAMIC MODELLING OF THE Mg-Al-Ca SYSTEM","year":2005},"ref:529c7666cdc21a2e":{"citation":"G. Bruzzone, Boll. Sci. Fac. Chim. Ind. Bologna 24 (1966) 113–132.","id":"ref:529c7666cdc21a2e","kind":"cited_work","metadata_source":"printed_reference","roles":["cited_source"],"source_kinds":["cited_work"],"year":1966},"unresolved:source:doi:10-1179-cmq-2005-44-4-523#14":{"citation":"reference [14] of doi:10-1179-cmq-2005-44-4-523 (no printed entry could be read)","id":"unresolved:source:doi:10-1179-cmq-2005-44-4-523#14","kind":"unresolved_citation","metadata_source":"printed_reference","roles":["cited_source"],"source_kinds":["unresolved_citation"]},"unresolved:source:doi:10-1179-cmq-2005-44-4-523#15":{"citation":"reference [15] of doi:10-1179-cmq-2005-44-4-523 (no printed entry could be read)","id":"unresolved:source:doi:10-1179-cmq-2005-44-4-523#15","kind":"unresolved_citation","metadata_source":"printed_reference","roles":["cited_source"],"source_kinds":["unresolved_citation"]},"unresolved:source:doi:10-1179-cmq-2005-44-4-523#26":{"citation":"reference [26] of doi:10-1179-cmq-2005-44-4-523 (no printed entry could be read)","id":"unresolved:source:doi:10-1179-cmq-2005-44-4-523#26","kind":"unresolved_citation","metadata_source":"printed_reference","roles":["cited_source"],"source_kinds":["unresolved_citation"]},"unresolved:source:doi:10-1179-cmq-2005-44-4-523#28":{"citation":"reference [28] of doi:10-1179-cmq-2005-44-4-523 (no printed entry could be read)","id":"unresolved:source:doi:10-1179-cmq-2005-44-4-523#28","kind":"unresolved_citation","metadata_source":"printed_reference","roles":["cited_source"],"source_kinds":["unresolved_citation"]}},"part":1,"parts":1,"records":[{"chemical_system":"CA","conditions":{"kind":"own_work_origin_unspecified"},"corrections":[{"after":"CA","before":"BA-CA","evidence":{"basis":"printed_overall_composition","overall_composition":{"BA":0.0,"CA":1.0},"phases":["(αCa)"]},"field":"system","gate":"A1","rule":"system_of_the_state"}],"evidence_class":"unspecified","flags":{"calphad_check":"not_available","espei_certified":false,"espei_ready":false,"extraction_accepted":true,"review_state":"extracted","system_is_state_subsystem":true},"fold_lpo":2,"fold_lso":0,"id":"ORC-DK5NYZWB4W","locator":{"ref":"doi:10.1007/bf02873004/p2/tab-1","row":1},"observation_type":"structural_property","origin":{"basis":"no_printed_or_resolvable_source_kind","class":"unspecified","measured_in":"doi:10.1007/bf02873004","own_work_of_paper":true},"overall_composition":{"CA":1.0},"overall_composition_stored":{"BA":0.0,"CA":1.0},"paper":"doi:10.1007/bf02873004","paper_id":"doi:10.1007/bf02873004","phase_compositions":[{"basis":"mole_fraction (converted from atomic percent)","composition":{"CA":1.0},"composition_source":"printed","composition_stored":{"BA":0.0,"CA":1.0},"phase":"(αCa)"}],"phases":[{"label":"(αCa)"}],"pid":"doi:10.1007/bf02873004/p2/tab-1/r01#structural_property","pressure_Pa":101325,"pressure_basis":"assumed_default_1_atm_not_printed","pressure_basis_stored":"unstated_assumed","property":"LATTICE_A","property_group":"crystal structure","reader_agreement":"multi_reader","reader_agreement_label":"confirmed (two or more readers)","reader_tier":"preliminary_flash+claude","readers":["claude-opus-5.5","gemini-3.1-pro-preview","gemini-3.8-flash","text_layer"],"record_kind":"general_table","source_system":"BA-CA","structure":{"pearson_symbol":"cF4","prototype":"Cu","space_group":"Fm3m","strukturbericht":"A1"},"system":"CA","temperature_K":298.15,"temperature_basis":"printed","temperature_printed":"25","tool_release":"tools-release-v2.1.18","uncertainty":{"basis":"reading_resolution","value":5e-06},"uncertainty_budget":{"calibration":"orchid-uncertainty-calibration 2026-10-24 (audit round 2) sha256 6a2b5a92b0ec","quantities":{"composition":{"sigma_composition":null,"sigma_conversion":null,"sigma_effective":0.05,"sigma_method":{"basis":"calibrated","ci95":[0.010484,0.011532],"class":"unknown","entry":"value_types/X_PHASE/classes/unknown","floor":0.011,"floor_unit":"mole fraction","n_pairs":3014,"value":0.011},"sigma_printed":null,"sigma_reading":{"basis":"last_stored_digit","value":0.05},"sigma_scatter":null,"unit":"mole fraction","value_type":"X_PHASE"},"value":{"sigma_composition":null,"sigma_conversion":null,"sigma_effective":0.001229,"sigma_method":{"basis":"calibrated","ci95":[0.001793,0.002549],"class":"unknown","entry":"value_types/LATTICE_LENGTH/classes/unknown","floor":0.0022,"floor_unit":"relative (fraction of the value)","n_pairs":586,"value":0.001229},"sigma_printed":null,"sigma_reading":{"basis":"last_printed_digit","value":5e-06},"sigma_scatter":null,"unit":"not_printed","value_type":"LATTICE_LENGTH"}},"sigma_rule":"max(sqrt(max(printed, reading, method)^2 + composition^2 + conversion^2), scatter)"},"unit":"not_printed","value":0.55884},{"chemical_system":"CA","cited_sources":[{"kind":"unknown","label":"2","status":"unresolved"}],"conditions":{"kind":"cited_source","note":"conditions in the cited source"},"corrections":[{"after":"CA","before":"BA-CA","evidence":{"basis":"printed_overall_composition","overall_composition":{"BA":0.0,"CA":1.0},"phases":["(βCa, Ba)"]},"field":"system","gate":"A1","rule":"system_of_the_state"},{"after":null,"before":"BCC_A2","evidence":{"label":"(βCa, Ba)","release":"phase-label-check 2026-10-24 (audit round 2, A2 class 1)"},"field":"phases.model_phase","gate":"PL","rule":"label_not_a_solution_or_structure_name"}],"evidence_class":"unspecified","flags":{"calphad_check":"not_available","espei_certified":false,"espei_ready":false,"extraction_accepted":true,"review_state":"extracted","system_is_state_subsystem":true},"fold_lpo":2,"fold_lso":0,"id":"ORC-EI2KUGX5RR","locator":{"ref":"doi:10.1007/bf02873004/p2/tab-1","row":3},"observation_type":"structural_property","origin":{"basis":"no_printed_or_resolvable_source_kind","class":"unspecified","own_work_of_paper":false},"overall_composition":{"CA":1.0},"overall_composition_stored":{"BA":0.0,"CA":1.0},"paper":"doi:10.1007/bf02873004","paper_id":"doi:10.1007/bf02873004","phase_compositions":[{"basis":"mole_fraction (converted from atomic percent)","composition":{"CA":1.0},"composition_source":"printed","composition_stored":{"BA":0.0,"CA":1.0},"phase":"(βCa, Ba)"}],"phases":[{"label":"(βCa, Ba)","model_phase_rejected":{"model_phase":"BCC_A2","reason":"label_not_a_solution_or_structure_name"}}],"pid":"doi:10.1007/bf02873004/p2/tab-1/r03#structural_property","pressure_Pa":101325,"pressure_basis":"assumed_default_1_atm_not_printed","pressure_basis_stored":"unstated_assumed","property":"LATTICE_A","property_group":"crystal structure","reader_agreement":"multi_reader","reader_agreement_label":"confirmed (two or more readers)","reader_tier":"preliminary_flash+claude","readers":["claude-opus-5.5","gemini-3.1-pro-preview","gemini-3.8-flash","text_layer"],"record_kind":"general_table","source_system":"BA-CA","structure":{"pearson_symbol":"cI2","prototype":"W","space_group":"Im3m","strukturbericht":"A2"},"system":"CA","temperature_K":1010.15,"temperature_basis":"printed","temperature_printed":"737","tool_release":"tools-release-v2.1.18","uncertainty":{"basis":"reading_resolution","value":0.0005},"uncertainty_budget":{"calibration":"orchid-uncertainty-calibration 2026-10-24 (audit round 2) sha256 6a2b5a92b0ec","quantities":{"composition":{"sigma_composition":null,"sigma_conversion":null,"sigma_effective":0.05,"sigma_method":{"basis":"calibrated","ci95":[0.010484,0.011532],"class":"unknown","entry":"value_types/X_PHASE/classes/unknown","floor":0.011,"floor_unit":"mole fraction","n_pairs":3014,"value":0.011},"sigma_printed":null,"sigma_reading":{"basis":"last_stored_digit","value":0.05},"sigma_scatter":null,"unit":"mole fraction","value_type":"X_PHASE"},"value":{"sigma_composition":null,"sigma_conversion":null,"sigma_effective":0.0009856,"sigma_method":{"basis":"calibrated","ci95":[0.001793,0.002549],"class":"unknown","entry":"value_types/LATTICE_LENGTH/classes/unknown","floor":0.0022,"floor_unit":"relative (fraction of the value)","n_pairs":586,"value":0.0009856},"sigma_printed":null,"sigma_reading":{"basis":"last_printed_digit","value":0.0005},"sigma_scatter":null,"unit":"not_printed","value_type":"LATTICE_LENGTH"}},"sigma_rule":"max(sqrt(max(printed, reading, method)^2 + composition^2 + conversion^2), scatter)"},"unit":"not_printed","value":0.448},{"chemical_system":"CA","conditions":{"kind":"not_applicable_own_calculation"},"corrections":[{"after":"CA","before":"AL-CA","evidence":{"basis":"overall_composition_all_elements","overall_composition":{"CA":1.0},"phases":["UNKNOWN"]},"field":"system","gate":"A1","rule":"system_of_the_state"},{"after":[{"label":"fcc (A1)","label_source":"printed_source_page"}],"before":[{"label":"UNKNOWN"}],"evidence":{"batch":"table_context_batch_03","doi":"10.1007/s11661-005-0133-0","pdf_page":3,"pdf_sha256":"48378842cc7d8d7784d3040d2d2f3a64a8f79c52091f030fc2d05a6ce0b0bc76","printed":"Element group 'Ca', row label 'fcc (A1)'","rationale":"Printed table context for this group supplies phase, strukturbericht; shared fields only, row values, references, uncertainty, composition and conditions unchanged; no forward fill across groups and no inference from symmetry, composition or other papers.","report_id":"ORCHID-TC-20261027-v1","source_group_rows":[17,18,19,20,21],"table":"I","table_key":"t055"},"field":"phases","gate":"TC20261027","rule":"source_adjudicated_table_context","visual_check":{"checked":"2026-10-27; Claude rendered-page inspection, table-context batch 03","image_sha256":"d16122368af7cb23ce1bb5e37a2827ccc9aa7e46c3612b03148fc36aab617057","page":3,"pdf_sha256_prefix":"48378842cc7d8d77","seen":"Ca fcc row: 5.331/5.545/5.344/5.492/5.5884","verdict":"confirmed"}},{"after":{"phase":"fcc (A1)","strukturbericht":"A1"},"before":{"strukturbericht":"A1"},"evidence":{"batch":"table_context_batch_03","doi":"10.1007/s11661-005-0133-0","pdf_page":3,"pdf_sha256":"48378842cc7d8d7784d3040d2d2f3a64a8f79c52091f030fc2d05a6ce0b0bc76","printed":"Element group 'Ca', row label 'fcc (A1)'","rationale":"Printed table context for this group supplies phase, strukturbericht; shared fields only, row values, references, uncertainty, composition and conditions unchanged; no forward fill across groups and no inference from symmetry, composition or other papers.","report_id":"ORCHID-TC-20261027-v1","source_group_rows":[17,18,19,20,21],"table":"I","table_key":"t055"},"field":"structure","gate":"TC20261027","rule":"source_adjudicated_table_context","visual_check":{"checked":"2026-10-27; Claude rendered-page inspection, table-context batch 03","image_sha256":"d16122368af7cb23ce1bb5e37a2827ccc9aa7e46c3612b03148fc36aab617057","page":3,"pdf_sha256_prefix":"48378842cc7d8d77","seen":"Ca fcc row: 5.331/5.545/5.344/5.492/5.5884","verdict":"confirmed"}}],"evidence_class":"dft","flags":{"calphad_check":"not_available","espei_certified":false,"espei_ready":false,"extraction_accepted":true,"review_state":"extracted","specification_gaps":["table_context_correction_requires_downstream_revalidation"],"state_fully_specified":false,"system_is_state_subsystem":true},"fold_lpo":3,"fold_lso":0,"id":"ORC-N36H7XSYCP","locator":{"ref":"doi:10.1007/s11661-005-0133-0/p3/tab-i","row":17},"method":"WIEN2k","method_basis":"printed in the table row/column","observation_type":"structural_property","origin":{"basis":"this_work+label_first_principles","class":"computed","measured_in":"doi:10.1007/s11661-005-0133-0","own_work_of_paper":true},"overall_composition":{"CA":1.0},"overall_composition_basis":"from_formula","paper":"doi:10.1007/s11661-005-0133-0","paper_id":"doi:10.1007/s11661-005-0133-0","phases":[{"label":"fcc (A1)","label_source":"printed_source_page"}],"pid":"doi:10.1007/s11661-005-0133-0/p3/tab-i/r17#structural_property","pressure_Pa":101325,"pressure_basis":"assumed_default_1_atm_not_printed","pressure_basis_stored":"unstated_assumed","property":"LATTICE_A","property_group":"crystal structure","reader_agreement":"multi_reader","reader_agreement_label":"confirmed (two or more readers)","reader_tier":"preliminary_flash+claude","readers":["claude-opus-5.5","gemini-3.8-flash","text_layer"],"record_kind":"general_table","source_system":"AL-CA","structure":{"phase":"fcc (A1)","strukturbericht":"A1"},"system":"CA","temperature_K":0.0,"temperature_basis":"quantity_label","temperature_printed":"0 K (static calculation)","tool_release":"tools-release-v2.1.18","uncertainty":{"basis":"reading_resolution","value":0.0005},"uncertainty_budget":{"calibration":"orchid-uncertainty-calibration 2026-10-24 (audit round 2) sha256 6a2b5a92b0ec","quantities":{"value":{"sigma_composition":null,"sigma_conversion":null,"sigma_effective":0.05331,"sigma_method":{"basis":"prior","class":"dft","entry":"dft/priors/LATTICE_LENGTH","floor":0.01,"floor_unit":"relative (fraction of the value)","value":0.05331},"sigma_printed":null,"sigma_reading":{"basis":"last_printed_digit","value":0.0005},"sigma_scatter":null,"unit":"Å","value_type":"LATTICE_LENGTH"}},"sigma_rule":"max(sqrt(max(printed, reading, method)^2 + composition^2 + conversion^2), scatter)"},"unit":"Å","unit_stored":"Å","value":5.331,"value_stored":5.331},{"chemical_system":"CA","conditions":{"kind":"not_applicable_own_calculation"},"corrections":[{"after":"CA","before":"AL-CA","evidence":{"basis":"overall_composition_all_elements","overall_composition":{"CA":1.0},"phases":["UNKNOWN"]},"field":"system","gate":"A1","rule":"system_of_the_state"},{"after":[{"label":"fcc (A1)","label_source":"printed_source_page"}],"before":[{"label":"UNKNOWN"}],"evidence":{"batch":"table_context_batch_03","doi":"10.1007/s11661-005-0133-0","pdf_page":3,"pdf_sha256":"48378842cc7d8d7784d3040d2d2f3a64a8f79c52091f030fc2d05a6ce0b0bc76","printed":"Element group 'Ca', row label 'fcc (A1)'","rationale":"Printed table context for this group supplies phase, strukturbericht; shared fields only, row values, references, uncertainty, composition and conditions unchanged; no forward fill across groups and no inference from symmetry, composition or other papers.","report_id":"ORCHID-TC-20261027-v1","source_group_rows":[17,18,19,20,21],"table":"I","table_key":"t055"},"field":"phases","gate":"TC20261027","rule":"source_adjudicated_table_context","visual_check":{"checked":"2026-10-27; Claude rendered-page inspection, table-context batch 03","image_sha256":"d16122368af7cb23ce1bb5e37a2827ccc9aa7e46c3612b03148fc36aab617057","page":3,"pdf_sha256_prefix":"48378842cc7d8d77","seen":"Ca fcc row: 5.331/5.545/5.344/5.492/5.5884","verdict":"confirmed"}},{"after":{"phase":"fcc (A1)","strukturbericht":"A1"},"before":{"strukturbericht":"A1"},"evidence":{"batch":"table_context_batch_03","doi":"10.1007/s11661-005-0133-0","pdf_page":3,"pdf_sha256":"48378842cc7d8d7784d3040d2d2f3a64a8f79c52091f030fc2d05a6ce0b0bc76","printed":"Element group 'Ca', row label 'fcc (A1)'","rationale":"Printed table context for this group supplies phase, strukturbericht; shared fields only, row values, references, uncertainty, composition and conditions unchanged; no forward fill across groups and no inference from symmetry, composition or other papers.","report_id":"ORCHID-TC-20261027-v1","source_group_rows":[17,18,19,20,21],"table":"I","table_key":"t055"},"field":"structure","gate":"TC20261027","rule":"source_adjudicated_table_context","visual_check":{"checked":"2026-10-27; Claude rendered-page inspection, table-context batch 03","image_sha256":"d16122368af7cb23ce1bb5e37a2827ccc9aa7e46c3612b03148fc36aab617057","page":3,"pdf_sha256_prefix":"48378842cc7d8d77","seen":"Ca fcc row: 5.331/5.545/5.344/5.492/5.5884","verdict":"confirmed"}}],"evidence_class":"dft","flags":{"calphad_check":"not_available","espei_certified":false,"espei_ready":false,"extraction_accepted":true,"review_state":"extracted","specification_gaps":["table_context_correction_requires_downstream_revalidation"],"state_fully_specified":false,"system_is_state_subsystem":true},"fold_lpo":3,"fold_lso":0,"id":"ORC-GBNT2ZGW4L","locator":{"ref":"doi:10.1007/s11661-005-0133-0/p3/tab-i","row":18},"method":"WIEN2k","method_basis":"printed in the table row/column","observation_type":"structural_property","origin":{"basis":"this_work+label_first_principles","class":"computed","measured_in":"doi:10.1007/s11661-005-0133-0","own_work_of_paper":true},"overall_composition":{"CA":1.0},"overall_composition_basis":"from_formula","paper":"doi:10.1007/s11661-005-0133-0","paper_id":"doi:10.1007/s11661-005-0133-0","phases":[{"label":"fcc (A1)","label_source":"printed_source_page"}],"pid":"doi:10.1007/s11661-005-0133-0/p3/tab-i/r18#structural_property","pressure_Pa":101325,"pressure_basis":"assumed_default_1_atm_not_printed","pressure_basis_stored":"unstated_assumed","property":"LATTICE_A","property_group":"crystal structure","reader_agreement":"multi_reader","reader_agreement_label":"confirmed (two or more readers)","reader_tier":"preliminary_flash+claude","readers":["claude-opus-5.5","gemini-3.8-flash","text_layer"],"record_kind":"general_table","source_system":"AL-CA","structure":{"phase":"fcc (A1)","strukturbericht":"A1"},"system":"CA","temperature_K":0.0,"temperature_basis":"quantity_label","temperature_printed":"0 K (static calculation)","tool_release":"tools-release-v2.1.18","uncertainty":{"basis":"reading_resolution","value":0.0005},"uncertainty_budget":{"calibration":"orchid-uncertainty-calibration 2026-10-24 (audit round 2) sha256 6a2b5a92b0ec","quantities":{"value":{"sigma_composition":null,"sigma_conversion":null,"sigma_effective":0.05545,"sigma_method":{"basis":"prior","class":"dft","entry":"dft/priors/LATTICE_LENGTH","floor":0.01,"floor_unit":"relative (fraction of the value)","value":0.05545},"sigma_printed":null,"sigma_reading":{"basis":"last_printed_digit","value":0.0005},"sigma_scatter":null,"unit":"Å","value_type":"LATTICE_LENGTH"}},"sigma_rule":"max(sqrt(max(printed, reading, method)^2 + composition^2 + conversion^2), scatter)"},"unit":"Å","unit_stored":"Å","value":5.545,"value_stored":5.545},{"chemical_system":"CA","conditions":{"kind":"not_applicable_own_calculation"},"corrections":[{"after":"CA","before":"AL-CA","evidence":{"basis":"overall_composition_all_elements","overall_composition":{"CA":1.0},"phases":["UNKNOWN"]},"field":"system","gate":"A1","rule":"system_of_the_state"},{"after":[{"label":"fcc (A1)","label_source":"printed_source_page"}],"before":[{"label":"UNKNOWN"}],"evidence":{"batch":"table_context_batch_03","doi":"10.1007/s11661-005-0133-0","pdf_page":3,"pdf_sha256":"48378842cc7d8d7784d3040d2d2f3a64a8f79c52091f030fc2d05a6ce0b0bc76","printed":"Element group 'Ca', row label 'fcc (A1)'","rationale":"Printed table context for this group supplies phase, strukturbericht; shared fields only, row values, references, uncertainty, composition and conditions unchanged; no forward fill across groups and no inference from symmetry, composition or other papers.","report_id":"ORCHID-TC-20261027-v1","source_group_rows":[17,18,19,20,21],"table":"I","table_key":"t055"},"field":"phases","gate":"TC20261027","rule":"source_adjudicated_table_context","visual_check":{"checked":"2026-10-27; Claude rendered-page inspection, table-context batch 03","image_sha256":"d16122368af7cb23ce1bb5e37a2827ccc9aa7e46c3612b03148fc36aab617057","page":3,"pdf_sha256_prefix":"48378842cc7d8d77","seen":"Ca fcc row: 5.331/5.545/5.344/5.492/5.5884","verdict":"confirmed"}},{"after":{"phase":"fcc (A1)","strukturbericht":"A1"},"before":{"strukturbericht":"A1"},"evidence":{"batch":"table_context_batch_03","doi":"10.1007/s11661-005-0133-0","pdf_page":3,"pdf_sha256":"48378842cc7d8d7784d3040d2d2f3a64a8f79c52091f030fc2d05a6ce0b0bc76","printed":"Element group 'Ca', row label 'fcc (A1)'","rationale":"Printed table context for this group supplies phase, strukturbericht; shared fields only, row values, references, uncertainty, composition and conditions unchanged; no forward fill across groups and no inference from symmetry, composition or other papers.","report_id":"ORCHID-TC-20261027-v1","source_group_rows":[17,18,19,20,21],"table":"I","table_key":"t055"},"field":"structure","gate":"TC20261027","rule":"source_adjudicated_table_context","visual_check":{"checked":"2026-10-27; Claude rendered-page inspection, table-context batch 03","image_sha256":"d16122368af7cb23ce1bb5e37a2827ccc9aa7e46c3612b03148fc36aab617057","page":3,"pdf_sha256_prefix":"48378842cc7d8d77","seen":"Ca fcc row: 5.331/5.545/5.344/5.492/5.5884","verdict":"confirmed"}}],"evidence_class":"dft","flags":{"calphad_check":"not_available","espei_certified":false,"espei_ready":false,"extraction_accepted":true,"review_state":"extracted","specification_gaps":["table_context_correction_requires_downstream_revalidation"],"state_fully_specified":false,"system_is_state_subsystem":true},"fold_lpo":3,"fold_lso":0,"id":"ORC-IDAHEKSNRA","locator":{"ref":"doi:10.1007/s11661-005-0133-0/p3/tab-i","row":19},"method":"VASP","method_basis":"printed in the table row/column","observation_type":"structural_property","origin":{"basis":"this_work+label_first_principles","class":"computed","measured_in":"doi:10.1007/s11661-005-0133-0","own_work_of_paper":true},"overall_composition":{"CA":1.0},"overall_composition_basis":"from_formula","paper":"doi:10.1007/s11661-005-0133-0","paper_id":"doi:10.1007/s11661-005-0133-0","phases":[{"label":"fcc (A1)","label_source":"printed_source_page"}],"pid":"doi:10.1007/s11661-005-0133-0/p3/tab-i/r19#structural_property","pressure_Pa":101325,"pressure_basis":"assumed_default_1_atm_not_printed","pressure_basis_stored":"unstated_assumed","property":"LATTICE_A","property_group":"crystal structure","reader_agreement":"multi_reader","reader_agreement_label":"confirmed (two or more readers)","reader_tier":"preliminary_flash+claude","readers":["claude-opus-5.5","gemini-3.8-flash","text_layer"],"record_kind":"general_table","source_system":"AL-CA","structure":{"phase":"fcc (A1)","strukturbericht":"A1"},"system":"CA","temperature_K":0.0,"temperature_basis":"quantity_label","temperature_printed":"0 K (static calculation)","tool_release":"tools-release-v2.1.18","uncertainty":{"basis":"reading_resolution","value":0.0005},"uncertainty_budget":{"calibration":"orchid-uncertainty-calibration 2026-10-24 (audit round 2) sha256 6a2b5a92b0ec","quantities":{"value":{"sigma_composition":null,"sigma_conversion":null,"sigma_effective":0.05344,"sigma_method":{"basis":"prior","class":"dft","entry":"dft/priors/LATTICE_LENGTH","floor":0.01,"floor_unit":"relative (fraction of the value)","value":0.05344},"sigma_printed":null,"sigma_reading":{"basis":"last_printed_digit","value":0.0005},"sigma_scatter":null,"unit":"Å","value_type":"LATTICE_LENGTH"}},"sigma_rule":"max(sqrt(max(printed, reading, method)^2 + composition^2 + conversion^2), scatter)"},"unit":"Å","unit_stored":"Å","value":5.344,"value_stored":5.344},{"chemical_system":"CA","conditions":{"kind":"not_applicable_own_calculation"},"corrections":[{"after":"CA","before":"AL-CA","evidence":{"basis":"overall_composition_all_elements","overall_composition":{"CA":1.0},"phases":["UNKNOWN"]},"field":"system","gate":"A1","rule":"system_of_the_state"},{"after":[{"label":"fcc (A1)","label_source":"printed_source_page"}],"before":[{"label":"UNKNOWN"}],"evidence":{"batch":"table_context_batch_03","doi":"10.1007/s11661-005-0133-0","pdf_page":3,"pdf_sha256":"48378842cc7d8d7784d3040d2d2f3a64a8f79c52091f030fc2d05a6ce0b0bc76","printed":"Element group 'Ca', row label 'fcc (A1)'","rationale":"Printed table context for this group supplies phase, strukturbericht; shared fields only, row values, references, uncertainty, composition and conditions unchanged; no forward fill across groups and no inference from symmetry, composition or other papers.","report_id":"ORCHID-TC-20261027-v1","source_group_rows":[17,18,19,20,21],"table":"I","table_key":"t055"},"field":"phases","gate":"TC20261027","rule":"source_adjudicated_table_context","visual_check":{"checked":"2026-10-27; Claude rendered-page inspection, table-context batch 03","image_sha256":"d16122368af7cb23ce1bb5e37a2827ccc9aa7e46c3612b03148fc36aab617057","page":3,"pdf_sha256_prefix":"48378842cc7d8d77","seen":"Ca fcc row: 5.331/5.545/5.344/5.492/5.5884","verdict":"confirmed"}},{"after":{"phase":"fcc (A1)","strukturbericht":"A1"},"before":{"strukturbericht":"A1"},"evidence":{"batch":"table_context_batch_03","doi":"10.1007/s11661-005-0133-0","pdf_page":3,"pdf_sha256":"48378842cc7d8d7784d3040d2d2f3a64a8f79c52091f030fc2d05a6ce0b0bc76","printed":"Element group 'Ca', row label 'fcc (A1)'","rationale":"Printed table context for this group supplies phase, strukturbericht; shared fields only, row values, references, uncertainty, composition and conditions unchanged; no forward fill across groups and no inference from symmetry, composition or other papers.","report_id":"ORCHID-TC-20261027-v1","source_group_rows":[17,18,19,20,21],"table":"I","table_key":"t055"},"field":"structure","gate":"TC20261027","rule":"source_adjudicated_table_context","visual_check":{"checked":"2026-10-27; Claude rendered-page inspection, table-context batch 03","image_sha256":"d16122368af7cb23ce1bb5e37a2827ccc9aa7e46c3612b03148fc36aab617057","page":3,"pdf_sha256_prefix":"48378842cc7d8d77","seen":"Ca fcc row: 5.331/5.545/5.344/5.492/5.5884","verdict":"confirmed"}}],"evidence_class":"dft","flags":{"calphad_check":"not_available","espei_certified":false,"espei_ready":false,"extraction_accepted":true,"review_state":"extracted","specification_gaps":["table_context_correction_requires_downstream_revalidation"],"state_fully_specified":false,"system_is_state_subsystem":true},"fold_lpo":3,"fold_lso":0,"id":"ORC-DP6ZHMH6B3","locator":{"ref":"doi:10.1007/s11661-005-0133-0/p3/tab-i","row":20},"method":"VASP","method_basis":"printed in the table row/column","observation_type":"structural_property","origin":{"basis":"this_work+label_first_principles","class":"computed","measured_in":"doi:10.1007/s11661-005-0133-0","own_work_of_paper":true},"overall_composition":{"CA":1.0},"overall_composition_basis":"from_formula","paper":"doi:10.1007/s11661-005-0133-0","paper_id":"doi:10.1007/s11661-005-0133-0","phases":[{"label":"fcc (A1)","label_source":"printed_source_page"}],"pid":"doi:10.1007/s11661-005-0133-0/p3/tab-i/r20#structural_property","pressure_Pa":101325,"pressure_basis":"assumed_default_1_atm_not_printed","pressure_basis_stored":"unstated_assumed","property":"LATTICE_A","property_group":"crystal structure","reader_agreement":"multi_reader","reader_agreement_label":"confirmed (two or more readers)","reader_tier":"preliminary_flash+claude","readers":["claude-opus-5.5","gemini-3.8-flash","text_layer"],"record_kind":"general_table","source_system":"AL-CA","structure":{"phase":"fcc (A1)","strukturbericht":"A1"},"system":"CA","temperature_K":0.0,"temperature_basis":"quantity_label","temperature_printed":"0 K (static calculation)","tool_release":"tools-release-v2.1.18","uncertainty":{"basis":"reading_resolution","value":0.0005},"uncertainty_budget":{"calibration":"orchid-uncertainty-calibration 2026-10-24 (audit round 2) sha256 6a2b5a92b0ec","quantities":{"value":{"sigma_composition":null,"sigma_conversion":null,"sigma_effective":0.05492,"sigma_method":{"basis":"prior","class":"dft","entry":"dft/priors/LATTICE_LENGTH","floor":0.01,"floor_unit":"relative (fraction of the value)","value":0.05492},"sigma_printed":null,"sigma_reading":{"basis":"last_printed_digit","value":0.0005},"sigma_scatter":null,"unit":"Å","value_type":"LATTICE_LENGTH"}},"sigma_rule":"max(sqrt(max(printed, reading, method)^2 + composition^2 + conversion^2), scatter)"},"unit":"Å","unit_stored":"Å","value":5.492,"value_stored":5.492},{"chemical_system":"CA","cited_sources":[{"doi":"10.1107/s0365110x59001268","first_author":"Bernstein","kind":"unknown","label":"38","paper":"doi:10.1107/s0365110x59001268","reference":"B.T. Bernstein and J.F. Smith: Acta Crystallogr., 1959, vol. 12, pp. 419-20.","status":"resolved","year":"1959"}],"conditions":{"kind":"cited_source","note":"conditions in the cited source"},"corrections":[{"after":"CA","before":"AL-CA","evidence":{"basis":"overall_composition_all_elements","overall_composition":{"CA":1.0},"phases":["UNKNOWN"]},"field":"system","gate":"A1","rule":"system_of_the_state"},{"after":[{"label":"fcc (A1)","label_source":"printed_source_page"}],"before":[{"label":"UNKNOWN"}],"evidence":{"batch":"table_context_batch_03","doi":"10.1007/s11661-005-0133-0","pdf_page":3,"pdf_sha256":"48378842cc7d8d7784d3040d2d2f3a64a8f79c52091f030fc2d05a6ce0b0bc76","printed":"Element group 'Ca', row label 'fcc (A1)'","rationale":"Printed table context for this group supplies phase, strukturbericht; shared fields only, row values, references, uncertainty, composition and conditions unchanged; no forward fill across groups and no inference from symmetry, composition or other papers.","report_id":"ORCHID-TC-20261027-v1","source_group_rows":[17,18,19,20,21],"table":"I","table_key":"t055"},"field":"phases","gate":"TC20261027","rule":"source_adjudicated_table_context","visual_check":{"checked":"2026-10-27; Claude rendered-page inspection, table-context batch 03","image_sha256":"d16122368af7cb23ce1bb5e37a2827ccc9aa7e46c3612b03148fc36aab617057","page":3,"pdf_sha256_prefix":"48378842cc7d8d77","seen":"Ca fcc row: 5.331/5.545/5.344/5.492/5.5884","verdict":"confirmed"}},{"after":{"phase":"fcc (A1)","strukturbericht":"A1"},"before":{"strukturbericht":"A1"},"evidence":{"batch":"table_context_batch_03","doi":"10.1007/s11661-005-0133-0","pdf_page":3,"pdf_sha256":"48378842cc7d8d7784d3040d2d2f3a64a8f79c52091f030fc2d05a6ce0b0bc76","printed":"Element group 'Ca', row label 'fcc (A1)'","rationale":"Printed table context for this group supplies phase, strukturbericht; shared fields only, row values, references, uncertainty, composition and conditions unchanged; no forward fill across groups and no inference from symmetry, composition or other papers.","report_id":"ORCHID-TC-20261027-v1","source_group_rows":[17,18,19,20,21],"table":"I","table_key":"t055"},"field":"structure","gate":"TC20261027","rule":"source_adjudicated_table_context","visual_check":{"checked":"2026-10-27; Claude rendered-page inspection, table-context batch 03","image_sha256":"d16122368af7cb23ce1bb5e37a2827ccc9aa7e46c3612b03148fc36aab617057","page":3,"pdf_sha256_prefix":"48378842cc7d8d77","seen":"Ca fcc row: 5.331/5.545/5.344/5.492/5.5884","verdict":"confirmed"}}],"evidence_class":"experimental","flags":{"calphad_check":"not_available","espei_certified":false,"espei_ready":false,"extraction_accepted":true,"review_state":"extracted","specification_gaps":["state:T_K_explicit","temperature not stated","table_context_correction_requires_downstream_revalidation"],"state_fully_specified":false,"system_is_state_subsystem":true},"fold_lpo":3,"fold_lso":0,"id":"ORC-OY3LODTBMN","locator":{"ref":"doi:10.1007/s11661-005-0133-0/p3/tab-i","row":21},"observation_type":"structural_property","origin":{"basis":"printed_source_experimental","class":"experimental","own_work_of_paper":false},"overall_composition":{"CA":1.0},"overall_composition_basis":"from_formula","paper":"doi:10.1007/s11661-005-0133-0","paper_id":"doi:10.1007/s11661-005-0133-0","phases":[{"label":"fcc (A1)","label_source":"printed_source_page"}],"pid":"doi:10.1007/s11661-005-0133-0/p3/tab-i/r21#structural_property","pressure_Pa":101325,"pressure_basis":"assumed_default_1_atm_not_printed","pressure_basis_stored":"unstated_assumed","property":"LATTICE_A","property_group":"crystal structure","reader_agreement":"multi_reader","reader_agreement_label":"confirmed (two or more readers)","reader_tier":"preliminary_flash+claude","readers":["claude-opus-5.5","gemini-3.8-flash","text_layer"],"record_kind":"general_table","source_system":"AL-CA","structure":{"phase":"fcc (A1)","strukturbericht":"A1"},"system":"CA","temperature_basis":"not_printed","tool_release":"tools-release-v2.1.18","uncertainty":{"basis":"reading_resolution","value":5e-05},"uncertainty_budget":{"calibration":"orchid-uncertainty-calibration 2026-10-24 (audit round 2) sha256 6a2b5a92b0ec","quantities":{"value":{"sigma_composition":null,"sigma_conversion":null,"sigma_effective":0.01229,"sigma_method":{"basis":"calibrated","ci95":[0.001793,0.002549],"class":"unknown","entry":"value_types/LATTICE_LENGTH/classes/unknown","floor":0.0022,"floor_unit":"relative (fraction of the value)","n_pairs":586,"value":0.01229},"sigma_printed":null,"sigma_reading":{"basis":"last_printed_digit","value":5e-05},"sigma_scatter":null,"unit":"Å","value_type":"LATTICE_LENGTH"}},"sigma_rule":"max(sqrt(max(printed, reading, method)^2 + composition^2 + conversion^2), scatter)"},"unit":"Å","unit_stored":"Å","value":5.5884,"value_stored":5.5884},{"chemical_system":"CA","conditions":{"kind":"not_applicable_own_calculation"},"corrections":[{"after":"CA","before":"AL-CA","evidence":{"basis":"overall_composition_all_elements","overall_composition":{"CA":1.0},"phases":["UNKNOWN"]},"field":"system","gate":"A1","rule":"system_of_the_state"},{"after":[{"label":"bcc (A2)","label_source":"printed_source_page"}],"before":[{"label":"UNKNOWN"}],"evidence":{"batch":"table_context_batch_03","doi":"10.1007/s11661-005-0133-0","pdf_page":3,"pdf_sha256":"48378842cc7d8d7784d3040d2d2f3a64a8f79c52091f030fc2d05a6ce0b0bc76","printed":"Element group 'Ca', row label 'bcc (A2)'","rationale":"Printed table context for this group supplies phase, strukturbericht; shared fields only, row values, references, uncertainty, composition and conditions unchanged; no forward fill across groups and no inference from symmetry, composition or other papers.","report_id":"ORCHID-TC-20261027-v1","source_group_rows":[22,23,24],"table":"I","table_key":"t055"},"field":"phases","gate":"TC20261027","rule":"source_adjudicated_table_context","visual_check":{"checked":"2026-10-27; Claude rendered-page inspection, table-context batch 03","image_sha256":"d16122368af7cb23ce1bb5e37a2827ccc9aa7e46c3612b03148fc36aab617057","page":3,"pdf_sha256_prefix":"48378842cc7d8d77","seen":"Ca bcc row: 4.211/4.218/4.349","verdict":"confirmed"}},{"after":{"phase":"bcc (A2)","strukturbericht":"A2"},"before":{"strukturbericht":"A2"},"evidence":{"batch":"table_context_batch_03","doi":"10.1007/s11661-005-0133-0","pdf_page":3,"pdf_sha256":"48378842cc7d8d7784d3040d2d2f3a64a8f79c52091f030fc2d05a6ce0b0bc76","printed":"Element group 'Ca', row label 'bcc (A2)'","rationale":"Printed table context for this group supplies phase, strukturbericht; shared fields only, row values, references, uncertainty, composition and conditions unchanged; no forward fill across groups and no inference from symmetry, composition or other papers.","report_id":"ORCHID-TC-20261027-v1","source_group_rows":[22,23,24],"table":"I","table_key":"t055"},"field":"structure","gate":"TC20261027","rule":"source_adjudicated_table_context","visual_check":{"checked":"2026-10-27; Claude rendered-page inspection, table-context batch 03","image_sha256":"d16122368af7cb23ce1bb5e37a2827ccc9aa7e46c3612b03148fc36aab617057","page":3,"pdf_sha256_prefix":"48378842cc7d8d77","seen":"Ca bcc row: 4.211/4.218/4.349","verdict":"confirmed"}}],"evidence_class":"dft","flags":{"calphad_check":"not_available","espei_certified":false,"espei_ready":false,"extraction_accepted":true,"review_state":"extracted","specification_gaps":["table_context_correction_requires_downstream_revalidation"],"state_fully_specified":false,"system_is_state_subsystem":true},"fold_lpo":3,"fold_lso":0,"id":"ORC-Y4XQRNEQMY","locator":{"ref":"doi:10.1007/s11661-005-0133-0/p3/tab-i","row":22},"method":"WIEN2k","method_basis":"printed in the table row/column","observation_type":"structural_property","origin":{"basis":"this_work+label_first_principles","class":"computed","measured_in":"doi:10.1007/s11661-005-0133-0","own_work_of_paper":true},"overall_composition":{"CA":1.0},"overall_composition_basis":"from_formula","paper":"doi:10.1007/s11661-005-0133-0","paper_id":"doi:10.1007/s11661-005-0133-0","phases":[{"label":"bcc (A2)","label_source":"printed_source_page"}],"pid":"doi:10.1007/s11661-005-0133-0/p3/tab-i/r22#structural_property","pressure_Pa":101325,"pressure_basis":"assumed_default_1_atm_not_printed","pressure_basis_stored":"unstated_assumed","property":"LATTICE_A","property_group":"crystal structure","reader_agreement":"multi_reader","reader_agreement_label":"confirmed (two or more readers)","reader_tier":"preliminary_flash+claude","readers":["claude-opus-5.5","gemini-3.8-flash","text_layer"],"record_kind":"general_table","source_system":"AL-CA","structure":{"phase":"bcc (A2)","strukturbericht":"A2"},"system":"CA","temperature_K":0.0,"temperature_basis":"quantity_label","temperature_printed":"0 K (static calculation)","tool_release":"tools-release-v2.1.18","uncertainty":{"basis":"reading_resolution","value":0.0005},"uncertainty_budget":{"calibration":"orchid-uncertainty-calibration 2026-10-24 (audit round 2) sha256 6a2b5a92b0ec","quantities":{"value":{"sigma_composition":null,"sigma_conversion":null,"sigma_effective":0.04211,"sigma_method":{"basis":"prior","class":"dft","entry":"dft/priors/LATTICE_LENGTH","floor":0.01,"floor_unit":"relative (fraction of the value)","value":0.04211},"sigma_printed":null,"sigma_reading":{"basis":"last_printed_digit","value":0.0005},"sigma_scatter":null,"unit":"Å","value_type":"LATTICE_LENGTH"}},"sigma_rule":"max(sqrt(max(printed, reading, method)^2 + composition^2 + conversion^2), scatter)"},"unit":"Å","unit_stored":"Å","value":4.211,"value_stored":4.211},{"chemical_system":"CA","conditions":{"kind":"not_applicable_own_calculation"},"corrections":[{"after":"CA","before":"AL-CA","evidence":{"basis":"overall_composition_all_elements","overall_composition":{"CA":1.0},"phases":["UNKNOWN"]},"field":"system","gate":"A1","rule":"system_of_the_state"},{"after":[{"label":"bcc (A2)","label_source":"printed_source_page"}],"before":[{"label":"UNKNOWN"}],"evidence":{"batch":"table_context_batch_03","doi":"10.1007/s11661-005-0133-0","pdf_page":3,"pdf_sha256":"48378842cc7d8d7784d3040d2d2f3a64a8f79c52091f030fc2d05a6ce0b0bc76","printed":"Element group 'Ca', row label 'bcc (A2)'","rationale":"Printed table context for this group supplies phase, strukturbericht; shared fields only, row values, references, uncertainty, composition and conditions unchanged; no forward fill across groups and no inference from symmetry, composition or other papers.","report_id":"ORCHID-TC-20261027-v1","source_group_rows":[22,23,24],"table":"I","table_key":"t055"},"field":"phases","gate":"TC20261027","rule":"source_adjudicated_table_context","visual_check":{"checked":"2026-10-27; Claude rendered-page inspection, table-context batch 03","image_sha256":"d16122368af7cb23ce1bb5e37a2827ccc9aa7e46c3612b03148fc36aab617057","page":3,"pdf_sha256_prefix":"48378842cc7d8d77","seen":"Ca bcc row: 4.211/4.218/4.349","verdict":"confirmed"}},{"after":{"phase":"bcc (A2)","strukturbericht":"A2"},"before":{"strukturbericht":"A2"},"evidence":{"batch":"table_context_batch_03","doi":"10.1007/s11661-005-0133-0","pdf_page":3,"pdf_sha256":"48378842cc7d8d7784d3040d2d2f3a64a8f79c52091f030fc2d05a6ce0b0bc76","printed":"Element group 'Ca', row label 'bcc (A2)'","rationale":"Printed table context for this group supplies phase, strukturbericht; shared fields only, row values, references, uncertainty, composition and conditions unchanged; no forward fill across groups and no inference from symmetry, composition or other papers.","report_id":"ORCHID-TC-20261027-v1","source_group_rows":[22,23,24],"table":"I","table_key":"t055"},"field":"structure","gate":"TC20261027","rule":"source_adjudicated_table_context","visual_check":{"checked":"2026-10-27; Claude rendered-page inspection, table-context batch 03","image_sha256":"d16122368af7cb23ce1bb5e37a2827ccc9aa7e46c3612b03148fc36aab617057","page":3,"pdf_sha256_prefix":"48378842cc7d8d77","seen":"Ca bcc row: 4.211/4.218/4.349","verdict":"confirmed"}}],"evidence_class":"dft","flags":{"calphad_check":"not_available","espei_certified":false,"espei_ready":false,"extraction_accepted":true,"review_state":"extracted","specification_gaps":["table_context_correction_requires_downstream_revalidation"],"state_fully_specified":false,"system_is_state_subsystem":true},"fold_lpo":3,"fold_lso":0,"id":"ORC-XLQAGLPPDT","locator":{"ref":"doi:10.1007/s11661-005-0133-0/p3/tab-i","row":23},"method":"VASP","method_basis":"printed in the table row/column","observation_type":"structural_property","origin":{"basis":"this_work+label_first_principles","class":"computed","measured_in":"doi:10.1007/s11661-005-0133-0","own_work_of_paper":true},"overall_composition":{"CA":1.0},"overall_composition_basis":"from_formula","paper":"doi:10.1007/s11661-005-0133-0","paper_id":"doi:10.1007/s11661-005-0133-0","phases":[{"label":"bcc (A2)","label_source":"printed_source_page"}],"pid":"doi:10.1007/s11661-005-0133-0/p3/tab-i/r23#structural_property","pressure_Pa":101325,"pressure_basis":"assumed_default_1_atm_not_printed","pressure_basis_stored":"unstated_assumed","property":"LATTICE_A","property_group":"crystal structure","reader_agreement":"multi_reader","reader_agreement_label":"confirmed (two or more readers)","reader_tier":"preliminary_flash+claude","readers":["claude-opus-5.5","gemini-3.8-flash","text_layer"],"record_kind":"general_table","source_system":"AL-CA","structure":{"phase":"bcc (A2)","strukturbericht":"A2"},"system":"CA","temperature_K":0.0,"temperature_basis":"quantity_label","temperature_printed":"0 K (static calculation)","tool_release":"tools-release-v2.1.18","uncertainty":{"basis":"reading_resolution","value":0.0005},"uncertainty_budget":{"calibration":"orchid-uncertainty-calibration 2026-10-24 (audit round 2) sha256 6a2b5a92b0ec","quantities":{"value":{"sigma_composition":null,"sigma_conversion":null,"sigma_effective":0.04218,"sigma_method":{"basis":"prior","class":"dft","entry":"dft/priors/LATTICE_LENGTH","floor":0.01,"floor_unit":"relative (fraction of the value)","value":0.04218},"sigma_printed":null,"sigma_reading":{"basis":"last_printed_digit","value":0.0005},"sigma_scatter":null,"unit":"Å","value_type":"LATTICE_LENGTH"}},"sigma_rule":"max(sqrt(max(printed, reading, method)^2 + composition^2 + conversion^2), scatter)"},"unit":"Å","unit_stored":"Å","value":4.218,"value_stored":4.218},{"chemical_system":"CA","conditions":{"kind":"not_applicable_own_calculation"},"corrections":[{"after":"CA","before":"AL-CA","evidence":{"basis":"overall_composition_all_elements","overall_composition":{"CA":1.0},"phases":["UNKNOWN"]},"field":"system","gate":"A1","rule":"system_of_the_state"},{"after":[{"label":"bcc (A2)","label_source":"printed_source_page"}],"before":[{"label":"UNKNOWN"}],"evidence":{"batch":"table_context_batch_03","doi":"10.1007/s11661-005-0133-0","pdf_page":3,"pdf_sha256":"48378842cc7d8d7784d3040d2d2f3a64a8f79c52091f030fc2d05a6ce0b0bc76","printed":"Element group 'Ca', row label 'bcc (A2)'","rationale":"Printed table context for this group supplies phase, strukturbericht; shared fields only, row values, references, uncertainty, composition and conditions unchanged; no forward fill across groups and no inference from symmetry, composition or other papers.","report_id":"ORCHID-TC-20261027-v1","source_group_rows":[22,23,24],"table":"I","table_key":"t055"},"field":"phases","gate":"TC20261027","rule":"source_adjudicated_table_context","visual_check":{"checked":"2026-10-27; Claude rendered-page inspection, table-context batch 03","image_sha256":"d16122368af7cb23ce1bb5e37a2827ccc9aa7e46c3612b03148fc36aab617057","page":3,"pdf_sha256_prefix":"48378842cc7d8d77","seen":"Ca bcc row: 4.211/4.218/4.349","verdict":"confirmed"}},{"after":{"phase":"bcc (A2)","strukturbericht":"A2"},"before":{"strukturbericht":"A2"},"evidence":{"batch":"table_context_batch_03","doi":"10.1007/s11661-005-0133-0","pdf_page":3,"pdf_sha256":"48378842cc7d8d7784d3040d2d2f3a64a8f79c52091f030fc2d05a6ce0b0bc76","printed":"Element group 'Ca', row label 'bcc (A2)'","rationale":"Printed table context for this group supplies phase, strukturbericht; shared fields only, row values, references, uncertainty, composition and conditions unchanged; no forward fill across groups and no inference from symmetry, composition or other papers.","report_id":"ORCHID-TC-20261027-v1","source_group_rows":[22,23,24],"table":"I","table_key":"t055"},"field":"structure","gate":"TC20261027","rule":"source_adjudicated_table_context","visual_check":{"checked":"2026-10-27; Claude rendered-page inspection, table-context batch 03","image_sha256":"d16122368af7cb23ce1bb5e37a2827ccc9aa7e46c3612b03148fc36aab617057","page":3,"pdf_sha256_prefix":"48378842cc7d8d77","seen":"Ca bcc row: 4.211/4.218/4.349","verdict":"confirmed"}}],"evidence_class":"dft","flags":{"calphad_check":"not_available","espei_certified":false,"espei_ready":false,"extraction_accepted":true,"review_state":"extracted","specification_gaps":["table_context_correction_requires_downstream_revalidation"],"state_fully_specified":false,"system_is_state_subsystem":true},"fold_lpo":3,"fold_lso":0,"id":"ORC-D7VAIC77N5","locator":{"ref":"doi:10.1007/s11661-005-0133-0/p3/tab-i","row":24},"method":"VASP","method_basis":"printed in the table row/column","observation_type":"structural_property","origin":{"basis":"this_work+label_first_principles","class":"computed","measured_in":"doi:10.1007/s11661-005-0133-0","own_work_of_paper":true},"overall_composition":{"CA":1.0},"overall_composition_basis":"from_formula","paper":"doi:10.1007/s11661-005-0133-0","paper_id":"doi:10.1007/s11661-005-0133-0","phases":[{"label":"bcc (A2)","label_source":"printed_source_page"}],"pid":"doi:10.1007/s11661-005-0133-0/p3/tab-i/r24#structural_property","pressure_Pa":101325,"pressure_basis":"assumed_default_1_atm_not_printed","pressure_basis_stored":"unstated_assumed","property":"LATTICE_A","property_group":"crystal structure","reader_agreement":"multi_reader","reader_agreement_label":"confirmed (two or more readers)","reader_tier":"preliminary_flash+claude","readers":["claude-opus-5.5","gemini-3.8-flash","text_layer"],"record_kind":"general_table","source_system":"AL-CA","structure":{"phase":"bcc (A2)","strukturbericht":"A2"},"system":"CA","temperature_K":0.0,"temperature_basis":"quantity_label","temperature_printed":"0 K (static calculation)","tool_release":"tools-release-v2.1.18","uncertainty":{"basis":"reading_resolution","value":0.0005},"uncertainty_budget":{"calibration":"orchid-uncertainty-calibration 2026-10-24 (audit round 2) sha256 6a2b5a92b0ec","quantities":{"value":{"sigma_composition":null,"sigma_conversion":null,"sigma_effective":0.04349,"sigma_method":{"basis":"prior","class":"dft","entry":"dft/priors/LATTICE_LENGTH","floor":0.01,"floor_unit":"relative (fraction of the value)","value":0.04349},"sigma_printed":null,"sigma_reading":{"basis":"last_printed_digit","value":0.0005},"sigma_scatter":null,"unit":"Å","value_type":"LATTICE_LENGTH"}},"sigma_rule":"max(sqrt(max(printed, reading, method)^2 + composition^2 + conversion^2), scatter)"},"unit":"Å","unit_stored":"Å","value":4.349,"value_stored":4.349},{"chemical_system":"CA","conditions":{"kind":"not_applicable_own_calculation"},"corrections":[{"after":"CA","before":"AL-CA","evidence":{"basis":"overall_composition_all_elements","overall_composition":{"CA":1.0},"phases":["UNKNOWN"]},"field":"system","gate":"A1","rule":"system_of_the_state"},{"after":[{"label":"hcp (A3)","label_source":"printed_source_page"}],"before":[{"label":"UNKNOWN"}],"evidence":{"batch":"table_context_batch_03","doi":"10.1007/s11661-005-0133-0","pdf_page":3,"pdf_sha256":"48378842cc7d8d7784d3040d2d2f3a64a8f79c52091f030fc2d05a6ce0b0bc76","printed":"Element group 'Ca', row label 'hcp (A3)'","rationale":"Printed table context for this group supplies phase, strukturbericht; shared fields only, row values, references, uncertainty, composition and conditions unchanged; no forward fill across groups and no inference from symmetry, composition or other papers.","report_id":"ORCHID-TC-20261027-v1","source_group_rows":[25,26,27],"table":"I","table_key":"t055"},"field":"phases","gate":"TC20261027","rule":"source_adjudicated_table_context","visual_check":{"checked":"2026-10-27; Claude rendered-page inspection, table-context batch 03","image_sha256":"d16122368af7cb23ce1bb5e37a2827ccc9aa7e46c3612b03148fc36aab617057","page":3,"pdf_sha256_prefix":"48378842cc7d8d77","seen":"Ca hcp rows a and c: 3.775/3.769/3.864, c 6.228/6.244/6.414","verdict":"confirmed"}},{"after":{"phase":"hcp (A3)","strukturbericht":"A3"},"before":{"strukturbericht":"A3"},"evidence":{"batch":"table_context_batch_03","doi":"10.1007/s11661-005-0133-0","pdf_page":3,"pdf_sha256":"48378842cc7d8d7784d3040d2d2f3a64a8f79c52091f030fc2d05a6ce0b0bc76","printed":"Element group 'Ca', row label 'hcp (A3)'","rationale":"Printed table context for this group supplies phase, strukturbericht; shared fields only, row values, references, uncertainty, composition and conditions unchanged; no forward fill across groups and no inference from symmetry, composition or other papers.","report_id":"ORCHID-TC-20261027-v1","source_group_rows":[25,26,27],"table":"I","table_key":"t055"},"field":"structure","gate":"TC20261027","rule":"source_adjudicated_table_context","visual_check":{"checked":"2026-10-27; Claude rendered-page inspection, table-context batch 03","image_sha256":"d16122368af7cb23ce1bb5e37a2827ccc9aa7e46c3612b03148fc36aab617057","page":3,"pdf_sha256_prefix":"48378842cc7d8d77","seen":"Ca hcp rows a and c: 3.775/3.769/3.864, c 6.228/6.244/6.414","verdict":"confirmed"}}],"evidence_class":"dft","flags":{"calphad_check":"not_available","espei_certified":false,"espei_ready":false,"extraction_accepted":true,"review_state":"extracted","specification_gaps":["table_context_correction_requires_downstream_revalidation"],"state_fully_specified":false,"system_is_state_subsystem":true},"fold_lpo":3,"fold_lso":0,"id":"ORC-POICVVOORU.2de688","locator":{"ref":"doi:10.1007/s11661-005-0133-0/p3/tab-i","row":25},"method":"WIEN2k","method_basis":"printed in the table row/column","observation_type":"structural_property","origin":{"basis":"this_work+label_first_principles","class":"computed","measured_in":"doi:10.1007/s11661-005-0133-0","own_work_of_paper":true},"overall_composition":{"CA":1.0},"overall_composition_basis":"from_formula","paper":"doi:10.1007/s11661-005-0133-0","paper_id":"doi:10.1007/s11661-005-0133-0","phases":[{"label":"hcp (A3)","label_source":"printed_source_page"}],"pid":"doi:10.1007/s11661-005-0133-0/p3/tab-i/r25#structural_property","pressure_Pa":101325,"pressure_basis":"assumed_default_1_atm_not_printed","pressure_basis_stored":"unstated_assumed","property":"LATTICE_C","property_group":"crystal structure","reader_agreement":"multi_reader","reader_agreement_label":"confirmed (two or more readers)","reader_tier":"preliminary_flash+claude","readers":["claude-opus-5.5","gemini-3.8-flash","text_layer"],"record_kind":"general_table","source_system":"AL-CA","structure":{"phase":"hcp (A3)","strukturbericht":"A3"},"system":"CA","temperature_K":0.0,"temperature_basis":"quantity_label","temperature_printed":"0 K (static calculation)","tool_release":"tools-release-v2.1.18","uncertainty":{"basis":"reading_resolution","value":0.0005},"uncertainty_budget":{"calibration":"orchid-uncertainty-calibration 2026-10-24 (audit round 2) sha256 6a2b5a92b0ec","quantities":{"value":{"sigma_composition":null,"sigma_conversion":null,"sigma_effective":0.06228,"sigma_method":{"basis":"prior","class":"dft","entry":"dft/priors/LATTICE_LENGTH","floor":0.01,"floor_unit":"relative (fraction of the value)","value":0.06228},"sigma_printed":null,"sigma_reading":{"basis":"last_printed_digit","value":0.0005},"sigma_scatter":null,"unit":"Å","value_type":"LATTICE_LENGTH"}},"sigma_rule":"max(sqrt(max(printed, reading, method)^2 + composition^2 + conversion^2), scatter)"},"unit":"Å","unit_stored":"Å","value":6.228,"value_stored":6.228},{"chemical_system":"CA","conditions":{"kind":"not_applicable_own_calculation"},"corrections":[{"after":"CA","before":"AL-CA","evidence":{"basis":"overall_composition_all_elements","overall_composition":{"CA":1.0},"phases":["UNKNOWN"]},"field":"system","gate":"A1","rule":"system_of_the_state"},{"after":[{"label":"hcp (A3)","label_source":"printed_source_page"}],"before":[{"label":"UNKNOWN"}],"evidence":{"batch":"table_context_batch_03","doi":"10.1007/s11661-005-0133-0","pdf_page":3,"pdf_sha256":"48378842cc7d8d7784d3040d2d2f3a64a8f79c52091f030fc2d05a6ce0b0bc76","printed":"Element group 'Ca', row label 'hcp (A3)'","rationale":"Printed table context for this group supplies phase, strukturbericht; shared fields only, row values, references, uncertainty, composition and conditions unchanged; no forward fill across groups and no inference from symmetry, composition or other papers.","report_id":"ORCHID-TC-20261027-v1","source_group_rows":[25,26,27],"table":"I","table_key":"t055"},"field":"phases","gate":"TC20261027","rule":"source_adjudicated_table_context","visual_check":{"checked":"2026-10-27; Claude rendered-page inspection, table-context batch 03","image_sha256":"d16122368af7cb23ce1bb5e37a2827ccc9aa7e46c3612b03148fc36aab617057","page":3,"pdf_sha256_prefix":"48378842cc7d8d77","seen":"Ca hcp rows a and c: 3.775/3.769/3.864, c 6.228/6.244/6.414","verdict":"confirmed"}},{"after":{"phase":"hcp (A3)","strukturbericht":"A3"},"before":{"strukturbericht":"A3"},"evidence":{"batch":"table_context_batch_03","doi":"10.1007/s11661-005-0133-0","pdf_page":3,"pdf_sha256":"48378842cc7d8d7784d3040d2d2f3a64a8f79c52091f030fc2d05a6ce0b0bc76","printed":"Element group 'Ca', row label 'hcp (A3)'","rationale":"Printed table context for this group supplies phase, strukturbericht; shared fields only, row values, references, uncertainty, composition and conditions unchanged; no forward fill across groups and no inference from symmetry, composition or other papers.","report_id":"ORCHID-TC-20261027-v1","source_group_rows":[25,26,27],"table":"I","table_key":"t055"},"field":"structure","gate":"TC20261027","rule":"source_adjudicated_table_context","visual_check":{"checked":"2026-10-27; Claude rendered-page inspection, table-context batch 03","image_sha256":"d16122368af7cb23ce1bb5e37a2827ccc9aa7e46c3612b03148fc36aab617057","page":3,"pdf_sha256_prefix":"48378842cc7d8d77","seen":"Ca hcp rows a and c: 3.775/3.769/3.864, c 6.228/6.244/6.414","verdict":"confirmed"}}],"evidence_class":"dft","flags":{"calphad_check":"not_available","espei_certified":false,"espei_ready":false,"extraction_accepted":true,"review_state":"extracted","specification_gaps":["table_context_correction_requires_downstream_revalidation"],"state_fully_specified":false,"system_is_state_subsystem":true},"fold_lpo":3,"fold_lso":0,"id":"ORC-POICVVOORU.c1b3bc","locator":{"ref":"doi:10.1007/s11661-005-0133-0/p3/tab-i","row":25},"method":"WIEN2k","method_basis":"printed in the table row/column","observation_type":"structural_property","origin":{"basis":"this_work+label_first_principles","class":"computed","measured_in":"doi:10.1007/s11661-005-0133-0","own_work_of_paper":true},"overall_composition":{"CA":1.0},"overall_composition_basis":"from_formula","paper":"doi:10.1007/s11661-005-0133-0","paper_id":"doi:10.1007/s11661-005-0133-0","phases":[{"label":"hcp (A3)","label_source":"printed_source_page"}],"pid":"doi:10.1007/s11661-005-0133-0/p3/tab-i/r25#structural_property","pressure_Pa":101325,"pressure_basis":"assumed_default_1_atm_not_printed","pressure_basis_stored":"unstated_assumed","property":"LATTICE_A","property_group":"crystal structure","reader_agreement":"multi_reader","reader_agreement_label":"confirmed (two or more readers)","reader_tier":"preliminary_flash+claude","readers":["claude-opus-5.5","gemini-3.8-flash","text_layer"],"record_kind":"general_table","source_system":"AL-CA","structure":{"phase":"hcp (A3)","strukturbericht":"A3"},"system":"CA","temperature_K":0.0,"temperature_basis":"quantity_label","temperature_printed":"0 K (static calculation)","tool_release":"tools-release-v2.1.18","uncertainty":{"basis":"reading_resolution","value":0.0005},"uncertainty_budget":{"calibration":"orchid-uncertainty-calibration 2026-10-24 (audit round 2) sha256 6a2b5a92b0ec","quantities":{"value":{"sigma_composition":null,"sigma_conversion":null,"sigma_effective":0.03775,"sigma_method":{"basis":"prior","class":"dft","entry":"dft/priors/LATTICE_LENGTH","floor":0.01,"floor_unit":"relative (fraction of the value)","value":0.03775},"sigma_printed":null,"sigma_reading":{"basis":"last_printed_digit","value":0.0005},"sigma_scatter":null,"unit":"Å","value_type":"LATTICE_LENGTH"}},"sigma_rule":"max(sqrt(max(printed, reading, method)^2 + composition^2 + conversion^2), scatter)"},"unit":"Å","unit_stored":"Å","value":3.775,"value_stored":3.775},{"chemical_system":"CA","conditions":{"kind":"not_applicable_own_calculation"},"corrections":[{"after":"CA","before":"AL-CA","evidence":{"basis":"overall_composition_all_elements","overall_composition":{"CA":1.0},"phases":["UNKNOWN"]},"field":"system","gate":"A1","rule":"system_of_the_state"},{"after":[{"label":"hcp (A3)","label_source":"printed_source_page"}],"before":[{"label":"UNKNOWN"}],"evidence":{"batch":"table_context_batch_03","doi":"10.1007/s11661-005-0133-0","pdf_page":3,"pdf_sha256":"48378842cc7d8d7784d3040d2d2f3a64a8f79c52091f030fc2d05a6ce0b0bc76","printed":"Element group 'Ca', row label 'hcp (A3)'","rationale":"Printed table context for this group supplies phase, strukturbericht; shared fields only, row values, references, uncertainty, composition and conditions unchanged; no forward fill across groups and no inference from symmetry, composition or other papers.","report_id":"ORCHID-TC-20261027-v1","source_group_rows":[25,26,27],"table":"I","table_key":"t055"},"field":"phases","gate":"TC20261027","rule":"source_adjudicated_table_context","visual_check":{"checked":"2026-10-27; Claude rendered-page inspection, table-context batch 03","image_sha256":"d16122368af7cb23ce1bb5e37a2827ccc9aa7e46c3612b03148fc36aab617057","page":3,"pdf_sha256_prefix":"48378842cc7d8d77","seen":"Ca hcp rows a and c: 3.775/3.769/3.864, c 6.228/6.244/6.414","verdict":"confirmed"}},{"after":{"phase":"hcp (A3)","strukturbericht":"A3"},"before":{"strukturbericht":"A3"},"evidence":{"batch":"table_context_batch_03","doi":"10.1007/s11661-005-0133-0","pdf_page":3,"pdf_sha256":"48378842cc7d8d7784d3040d2d2f3a64a8f79c52091f030fc2d05a6ce0b0bc76","printed":"Element group 'Ca', row label 'hcp (A3)'","rationale":"Printed table context for this group supplies phase, strukturbericht; shared fields only, row values, references, uncertainty, composition and conditions unchanged; no forward fill across groups and no inference from symmetry, composition or other papers.","report_id":"ORCHID-TC-20261027-v1","source_group_rows":[25,26,27],"table":"I","table_key":"t055"},"field":"structure","gate":"TC20261027","rule":"source_adjudicated_table_context","visual_check":{"checked":"2026-10-27; Claude rendered-page inspection, table-context batch 03","image_sha256":"d16122368af7cb23ce1bb5e37a2827ccc9aa7e46c3612b03148fc36aab617057","page":3,"pdf_sha256_prefix":"48378842cc7d8d77","seen":"Ca hcp rows a and c: 3.775/3.769/3.864, c 6.228/6.244/6.414","verdict":"confirmed"}}],"evidence_class":"dft","flags":{"calphad_check":"not_available","espei_certified":false,"espei_ready":false,"extraction_accepted":true,"review_state":"extracted","specification_gaps":["table_context_correction_requires_downstream_revalidation"],"state_fully_specified":false,"system_is_state_subsystem":true},"fold_lpo":3,"fold_lso":0,"id":"ORC-3MKCPUK6W3.4b35cf","locator":{"ref":"doi:10.1007/s11661-005-0133-0/p3/tab-i","row":26},"method":"VASP","method_basis":"printed in the table row/column","observation_type":"structural_property","origin":{"basis":"this_work+label_first_principles","class":"computed","measured_in":"doi:10.1007/s11661-005-0133-0","own_work_of_paper":true},"overall_composition":{"CA":1.0},"overall_composition_basis":"from_formula","paper":"doi:10.1007/s11661-005-0133-0","paper_id":"doi:10.1007/s11661-005-0133-0","phases":[{"label":"hcp (A3)","label_source":"printed_source_page"}],"pid":"doi:10.1007/s11661-005-0133-0/p3/tab-i/r26#structural_property","pressure_Pa":101325,"pressure_basis":"assumed_default_1_atm_not_printed","pressure_basis_stored":"unstated_assumed","property":"LATTICE_C","property_group":"crystal structure","reader_agreement":"multi_reader","reader_agreement_label":"confirmed (two or more readers)","reader_tier":"preliminary_flash+claude","readers":["claude-opus-5.5","gemini-3.8-flash","text_layer"],"record_kind":"general_table","source_system":"AL-CA","structure":{"phase":"hcp (A3)","strukturbericht":"A3"},"system":"CA","temperature_K":0.0,"temperature_basis":"quantity_label","temperature_printed":"0 K (static calculation)","tool_release":"tools-release-v2.1.18","uncertainty":{"basis":"reading_resolution","value":0.0005},"uncertainty_budget":{"calibration":"orchid-uncertainty-calibration 2026-10-24 (audit round 2) sha256 6a2b5a92b0ec","quantities":{"value":{"sigma_composition":null,"sigma_conversion":null,"sigma_effective":0.06244,"sigma_method":{"basis":"prior","class":"dft","entry":"dft/priors/LATTICE_LENGTH","floor":0.01,"floor_unit":"relative (fraction of the value)","value":0.06244},"sigma_printed":null,"sigma_reading":{"basis":"last_printed_digit","value":0.0005},"sigma_scatter":null,"unit":"Å","value_type":"LATTICE_LENGTH"}},"sigma_rule":"max(sqrt(max(printed, reading, method)^2 + composition^2 + conversion^2), scatter)"},"unit":"Å","unit_stored":"Å","value":6.244,"value_stored":6.244},{"chemical_system":"CA","conditions":{"kind":"not_applicable_own_calculation"},"corrections":[{"after":"CA","before":"AL-CA","evidence":{"basis":"overall_composition_all_elements","overall_composition":{"CA":1.0},"phases":["UNKNOWN"]},"field":"system","gate":"A1","rule":"system_of_the_state"},{"after":[{"label":"hcp (A3)","label_source":"printed_source_page"}],"before":[{"label":"UNKNOWN"}],"evidence":{"batch":"table_context_batch_03","doi":"10.1007/s11661-005-0133-0","pdf_page":3,"pdf_sha256":"48378842cc7d8d7784d3040d2d2f3a64a8f79c52091f030fc2d05a6ce0b0bc76","printed":"Element group 'Ca', row label 'hcp (A3)'","rationale":"Printed table context for this group supplies phase, strukturbericht; shared fields only, row values, references, uncertainty, composition and conditions unchanged; no forward fill across groups and no inference from symmetry, composition or other papers.","report_id":"ORCHID-TC-20261027-v1","source_group_rows":[25,26,27],"table":"I","table_key":"t055"},"field":"phases","gate":"TC20261027","rule":"source_adjudicated_table_context","visual_check":{"checked":"2026-10-27; Claude rendered-page inspection, table-context batch 03","image_sha256":"d16122368af7cb23ce1bb5e37a2827ccc9aa7e46c3612b03148fc36aab617057","page":3,"pdf_sha256_prefix":"48378842cc7d8d77","seen":"Ca hcp rows a and c: 3.775/3.769/3.864, c 6.228/6.244/6.414","verdict":"confirmed"}},{"after":{"phase":"hcp (A3)","strukturbericht":"A3"},"before":{"strukturbericht":"A3"},"evidence":{"batch":"table_context_batch_03","doi":"10.1007/s11661-005-0133-0","pdf_page":3,"pdf_sha256":"48378842cc7d8d7784d3040d2d2f3a64a8f79c52091f030fc2d05a6ce0b0bc76","printed":"Element group 'Ca', row label 'hcp (A3)'","rationale":"Printed table context for this group supplies phase, strukturbericht; shared fields only, row values, references, uncertainty, composition and conditions unchanged; no forward fill across groups and no inference from symmetry, composition or other papers.","report_id":"ORCHID-TC-20261027-v1","source_group_rows":[25,26,27],"table":"I","table_key":"t055"},"field":"structure","gate":"TC20261027","rule":"source_adjudicated_table_context","visual_check":{"checked":"2026-10-27; Claude rendered-page inspection, table-context batch 03","image_sha256":"d16122368af7cb23ce1bb5e37a2827ccc9aa7e46c3612b03148fc36aab617057","page":3,"pdf_sha256_prefix":"48378842cc7d8d77","seen":"Ca hcp rows a and c: 3.775/3.769/3.864, c 6.228/6.244/6.414","verdict":"confirmed"}}],"evidence_class":"dft","flags":{"calphad_check":"not_available","espei_certified":false,"espei_ready":false,"extraction_accepted":true,"review_state":"extracted","specification_gaps":["table_context_correction_requires_downstream_revalidation"],"state_fully_specified":false,"system_is_state_subsystem":true},"fold_lpo":3,"fold_lso":0,"id":"ORC-3MKCPUK6W3.652dc5","locator":{"ref":"doi:10.1007/s11661-005-0133-0/p3/tab-i","row":26},"method":"VASP","method_basis":"printed in the table row/column","observation_type":"structural_property","origin":{"basis":"this_work+label_first_principles","class":"computed","measured_in":"doi:10.1007/s11661-005-0133-0","own_work_of_paper":true},"overall_composition":{"CA":1.0},"overall_composition_basis":"from_formula","paper":"doi:10.1007/s11661-005-0133-0","paper_id":"doi:10.1007/s11661-005-0133-0","phases":[{"label":"hcp (A3)","label_source":"printed_source_page"}],"pid":"doi:10.1007/s11661-005-0133-0/p3/tab-i/r26#structural_property","pressure_Pa":101325,"pressure_basis":"assumed_default_1_atm_not_printed","pressure_basis_stored":"unstated_assumed","property":"LATTICE_A","property_group":"crystal structure","reader_agreement":"multi_reader","reader_agreement_label":"confirmed (two or more readers)","reader_tier":"preliminary_flash+claude","readers":["claude-opus-5.5","gemini-3.8-flash","text_layer"],"record_kind":"general_table","source_system":"AL-CA","structure":{"phase":"hcp (A3)","strukturbericht":"A3"},"system":"CA","temperature_K":0.0,"temperature_basis":"quantity_label","temperature_printed":"0 K (static calculation)","tool_release":"tools-release-v2.1.18","uncertainty":{"basis":"reading_resolution","value":0.0005},"uncertainty_budget":{"calibration":"orchid-uncertainty-calibration 2026-10-24 (audit round 2) sha256 6a2b5a92b0ec","quantities":{"value":{"sigma_composition":null,"sigma_conversion":null,"sigma_effective":0.03769,"sigma_method":{"basis":"prior","class":"dft","entry":"dft/priors/LATTICE_LENGTH","floor":0.01,"floor_unit":"relative (fraction of the value)","value":0.03769},"sigma_printed":null,"sigma_reading":{"basis":"last_printed_digit","value":0.0005},"sigma_scatter":null,"unit":"Å","value_type":"LATTICE_LENGTH"}},"sigma_rule":"max(sqrt(max(printed, reading, method)^2 + composition^2 + conversion^2), scatter)"},"unit":"Å","unit_stored":"Å","value":3.769,"value_stored":3.769},{"chemical_system":"CA","conditions":{"kind":"not_applicable_own_calculation"},"corrections":[{"after":"CA","before":"AL-CA","evidence":{"basis":"overall_composition_all_elements","overall_composition":{"CA":1.0},"phases":["UNKNOWN"]},"field":"system","gate":"A1","rule":"system_of_the_state"},{"after":[{"label":"hcp (A3)","label_source":"printed_source_page"}],"before":[{"label":"UNKNOWN"}],"evidence":{"batch":"table_context_batch_03","doi":"10.1007/s11661-005-0133-0","pdf_page":3,"pdf_sha256":"48378842cc7d8d7784d3040d2d2f3a64a8f79c52091f030fc2d05a6ce0b0bc76","printed":"Element group 'Ca', row label 'hcp (A3)'","rationale":"Printed table context for this group supplies phase, strukturbericht; shared fields only, row values, references, uncertainty, composition and conditions unchanged; no forward fill across groups and no inference from symmetry, composition or other papers.","report_id":"ORCHID-TC-20261027-v1","source_group_rows":[25,26,27],"table":"I","table_key":"t055"},"field":"phases","gate":"TC20261027","rule":"source_adjudicated_table_context","visual_check":{"checked":"2026-10-27; Claude rendered-page inspection, table-context batch 03","image_sha256":"d16122368af7cb23ce1bb5e37a2827ccc9aa7e46c3612b03148fc36aab617057","page":3,"pdf_sha256_prefix":"48378842cc7d8d77","seen":"Ca hcp rows a and c: 3.775/3.769/3.864, c 6.228/6.244/6.414","verdict":"confirmed"}},{"after":{"phase":"hcp (A3)","strukturbericht":"A3"},"before":{"strukturbericht":"A3"},"evidence":{"batch":"table_context_batch_03","doi":"10.1007/s11661-005-0133-0","pdf_page":3,"pdf_sha256":"48378842cc7d8d7784d3040d2d2f3a64a8f79c52091f030fc2d05a6ce0b0bc76","printed":"Element group 'Ca', row label 'hcp (A3)'","rationale":"Printed table context for this group supplies phase, strukturbericht; shared fields only, row values, references, uncertainty, composition and conditions unchanged; no forward fill across groups and no inference from symmetry, composition or other papers.","report_id":"ORCHID-TC-20261027-v1","source_group_rows":[25,26,27],"table":"I","table_key":"t055"},"field":"structure","gate":"TC20261027","rule":"source_adjudicated_table_context","visual_check":{"checked":"2026-10-27; Claude rendered-page inspection, table-context batch 03","image_sha256":"d16122368af7cb23ce1bb5e37a2827ccc9aa7e46c3612b03148fc36aab617057","page":3,"pdf_sha256_prefix":"48378842cc7d8d77","seen":"Ca hcp rows a and c: 3.775/3.769/3.864, c 6.228/6.244/6.414","verdict":"confirmed"}}],"evidence_class":"dft","flags":{"calphad_check":"not_available","espei_certified":false,"espei_ready":false,"extraction_accepted":true,"review_state":"extracted","specification_gaps":["table_context_correction_requires_downstream_revalidation"],"state_fully_specified":false,"system_is_state_subsystem":true},"fold_lpo":3,"fold_lso":0,"id":"ORC-SHBTP7FLCM.b1f9b9","locator":{"ref":"doi:10.1007/s11661-005-0133-0/p3/tab-i","row":27},"method":"VASP","method_basis":"printed in the table row/column","observation_type":"structural_property","origin":{"basis":"this_work+label_first_principles","class":"computed","measured_in":"doi:10.1007/s11661-005-0133-0","own_work_of_paper":true},"overall_composition":{"CA":1.0},"overall_composition_basis":"from_formula","paper":"doi:10.1007/s11661-005-0133-0","paper_id":"doi:10.1007/s11661-005-0133-0","phases":[{"label":"hcp (A3)","label_source":"printed_source_page"}],"pid":"doi:10.1007/s11661-005-0133-0/p3/tab-i/r27#structural_property","pressure_Pa":101325,"pressure_basis":"assumed_default_1_atm_not_printed","pressure_basis_stored":"unstated_assumed","property":"LATTICE_C","property_group":"crystal structure","reader_agreement":"multi_reader","reader_agreement_label":"confirmed (two or more readers)","reader_tier":"preliminary_flash+claude","readers":["claude-opus-5.5","gemini-3.8-flash","text_layer"],"record_kind":"general_table","source_system":"AL-CA","structure":{"phase":"hcp (A3)","strukturbericht":"A3"},"system":"CA","temperature_K":0.0,"temperature_basis":"quantity_label","temperature_printed":"0 K (static calculation)","tool_release":"tools-release-v2.1.18","uncertainty":{"basis":"reading_resolution","value":0.0005},"uncertainty_budget":{"calibration":"orchid-uncertainty-calibration 2026-10-24 (audit round 2) sha256 6a2b5a92b0ec","quantities":{"value":{"sigma_composition":null,"sigma_conversion":null,"sigma_effective":0.06414,"sigma_method":{"basis":"prior","class":"dft","entry":"dft/priors/LATTICE_LENGTH","floor":0.01,"floor_unit":"relative (fraction of the value)","value":0.06414},"sigma_printed":null,"sigma_reading":{"basis":"last_printed_digit","value":0.0005},"sigma_scatter":null,"unit":"Å","value_type":"LATTICE_LENGTH"}},"sigma_rule":"max(sqrt(max(printed, reading, method)^2 + composition^2 + conversion^2), scatter)"},"unit":"Å","unit_stored":"Å","value":6.414,"value_stored":6.414},{"chemical_system":"CA","conditions":{"kind":"not_applicable_own_calculation"},"corrections":[{"after":"CA","before":"AL-CA","evidence":{"basis":"overall_composition_all_elements","overall_composition":{"CA":1.0},"phases":["UNKNOWN"]},"field":"system","gate":"A1","rule":"system_of_the_state"},{"after":[{"label":"hcp (A3)","label_source":"printed_source_page"}],"before":[{"label":"UNKNOWN"}],"evidence":{"batch":"table_context_batch_03","doi":"10.1007/s11661-005-0133-0","pdf_page":3,"pdf_sha256":"48378842cc7d8d7784d3040d2d2f3a64a8f79c52091f030fc2d05a6ce0b0bc76","printed":"Element group 'Ca', row label 'hcp (A3)'","rationale":"Printed table context for this group supplies phase, strukturbericht; shared fields only, row values, references, uncertainty, composition and conditions unchanged; no forward fill across groups and no inference from symmetry, composition or other papers.","report_id":"ORCHID-TC-20261027-v1","source_group_rows":[25,26,27],"table":"I","table_key":"t055"},"field":"phases","gate":"TC20261027","rule":"source_adjudicated_table_context","visual_check":{"checked":"2026-10-27; Claude rendered-page inspection, table-context batch 03","image_sha256":"d16122368af7cb23ce1bb5e37a2827ccc9aa7e46c3612b03148fc36aab617057","page":3,"pdf_sha256_prefix":"48378842cc7d8d77","seen":"Ca hcp rows a and c: 3.775/3.769/3.864, c 6.228/6.244/6.414","verdict":"confirmed"}},{"after":{"phase":"hcp (A3)","strukturbericht":"A3"},"before":{"strukturbericht":"A3"},"evidence":{"batch":"table_context_batch_03","doi":"10.1007/s11661-005-0133-0","pdf_page":3,"pdf_sha256":"48378842cc7d8d7784d3040d2d2f3a64a8f79c52091f030fc2d05a6ce0b0bc76","printed":"Element group 'Ca', row label 'hcp (A3)'","rationale":"Printed table context for this group supplies phase, strukturbericht; shared fields only, row values, references, uncertainty, composition and conditions unchanged; no forward fill across groups and no inference from symmetry, composition or other papers.","report_id":"ORCHID-TC-20261027-v1","source_group_rows":[25,26,27],"table":"I","table_key":"t055"},"field":"structure","gate":"TC20261027","rule":"source_adjudicated_table_context","visual_check":{"checked":"2026-10-27; Claude rendered-page inspection, table-context batch 03","image_sha256":"d16122368af7cb23ce1bb5e37a2827ccc9aa7e46c3612b03148fc36aab617057","page":3,"pdf_sha256_prefix":"48378842cc7d8d77","seen":"Ca hcp rows a and c: 3.775/3.769/3.864, c 6.228/6.244/6.414","verdict":"confirmed"}}],"evidence_class":"dft","flags":{"calphad_check":"not_available","espei_certified":false,"espei_ready":false,"extraction_accepted":true,"review_state":"extracted","specification_gaps":["table_context_correction_requires_downstream_revalidation"],"state_fully_specified":false,"system_is_state_subsystem":true},"fold_lpo":3,"fold_lso":0,"id":"ORC-SHBTP7FLCM.cec73e","locator":{"ref":"doi:10.1007/s11661-005-0133-0/p3/tab-i","row":27},"method":"VASP","method_basis":"printed in the table row/column","observation_type":"structural_property","origin":{"basis":"this_work+label_first_principles","class":"computed","measured_in":"doi:10.1007/s11661-005-0133-0","own_work_of_paper":true},"overall_composition":{"CA":1.0},"overall_composition_basis":"from_formula","paper":"doi:10.1007/s11661-005-0133-0","paper_id":"doi:10.1007/s11661-005-0133-0","phases":[{"label":"hcp (A3)","label_source":"printed_source_page"}],"pid":"doi:10.1007/s11661-005-0133-0/p3/tab-i/r27#structural_property","pressure_Pa":101325,"pressure_basis":"assumed_default_1_atm_not_printed","pressure_basis_stored":"unstated_assumed","property":"LATTICE_A","property_group":"crystal structure","reader_agreement":"multi_reader","reader_agreement_label":"confirmed (two or more readers)","reader_tier":"preliminary_flash+claude","readers":["claude-opus-5.5","gemini-3.8-flash","text_layer"],"record_kind":"general_table","source_system":"AL-CA","structure":{"phase":"hcp (A3)","strukturbericht":"A3"},"system":"CA","temperature_K":0.0,"temperature_basis":"quantity_label","temperature_printed":"0 K (static calculation)","tool_release":"tools-release-v2.1.18","uncertainty":{"basis":"reading_resolution","value":0.0005},"uncertainty_budget":{"calibration":"orchid-uncertainty-calibration 2026-10-24 (audit round 2) sha256 6a2b5a92b0ec","quantities":{"value":{"sigma_composition":null,"sigma_conversion":null,"sigma_effective":0.03864,"sigma_method":{"basis":"prior","class":"dft","entry":"dft/priors/LATTICE_LENGTH","floor":0.01,"floor_unit":"relative (fraction of the value)","value":0.03864},"sigma_printed":null,"sigma_reading":{"basis":"last_printed_digit","value":0.0005},"sigma_scatter":null,"unit":"Å","value_type":"LATTICE_LENGTH"}},"sigma_rule":"max(sqrt(max(printed, reading, method)^2 + composition^2 + conversion^2), scatter)"},"unit":"Å","unit_stored":"Å","value":3.864,"value_stored":3.864},{"chemical_system":"CA","conditions":{"kind":"not_applicable_own_calculation"},"corrections":[{"after":"CA","before":"AL-CA","evidence":{"basis":"overall_composition_all_elements","overall_composition":{"CA":1.0},"phases":["C15-Ca2Ca"]},"field":"system","gate":"A1","rule":"system_of_the_state"}],"evidence_class":"dft","flags":{"calphad_check":"not_available","espei_certified":false,"espei_ready":false,"extraction_accepted":true,"review_state":"extracted","system_is_state_subsystem":true},"fold_lpo":3,"fold_lso":0,"id":"ORC-ENLNTB5OK5","locator":{"ref":"doi:10.1007/s11661-005-0133-0/p4/tab-iii","row":16},"method":"WIEN2k","method_basis":"printed in the table row/column","observation_type":"structural_property","origin":{"basis":"this_work+label_first_principles","class":"computed","measured_in":"doi:10.1007/s11661-005-0133-0","own_work_of_paper":true},"overall_composition":{"CA":1.0},"overall_composition_basis":"from_formula","paper":"doi:10.1007/s11661-005-0133-0","paper_id":"doi:10.1007/s11661-005-0133-0","phases":[{"label":"C15-Ca2Ca"}],"pid":"doi:10.1007/s11661-005-0133-0/p4/tab-iii/r16#structural_property","pressure_Pa":101325,"pressure_basis":"assumed_default_1_atm_not_printed","pressure_basis_stored":"unstated_assumed","property":"LATTICE_A","property_group":"crystal structure","reader_agreement":"multi_reader","reader_agreement_label":"confirmed (two or more readers)","reader_tier":"preliminary_flash+claude","readers":["claude-opus-5.5","gemini-3.8-flash","text_layer"],"record_kind":"general_table","source_system":"AL-CA","structure":{"space_group":"Fd3m","strukturbericht":"C15"},"system":"CA","temperature_K":0.0,"temperature_basis":"quantity_label","temperature_printed":"0 K (static calculation)","tool_release":"tools-release-v2.1.18","uncertainty":{"basis":"reading_resolution","value":0.0005},"uncertainty_budget":{"calibration":"orchid-uncertainty-calibration 2026-10-24 (audit round 2) sha256 6a2b5a92b0ec","quantities":{"value":{"sigma_composition":null,"sigma_conversion":null,"sigma_effective":0.1021,"sigma_method":{"basis":"prior","class":"dft","entry":"dft/priors/LATTICE_LENGTH","floor":0.01,"floor_unit":"relative (fraction of the value)","value":0.1021},"sigma_printed":null,"sigma_reading":{"basis":"last_printed_digit","value":0.0005},"sigma_scatter":null,"unit":"Å","value_type":"LATTICE_LENGTH"}},"sigma_rule":"max(sqrt(max(printed, reading, method)^2 + composition^2 + conversion^2), scatter)"},"unit":"Å","unit_stored":"Å","value":10.208,"value_stored":10.208},{"chemical_system":"CA","conditions":{"kind":"not_applicable_own_calculation"},"corrections":[{"after":"CA","before":"AL-CA","evidence":{"basis":"overall_composition_all_elements","overall_composition":{"CA":1.0},"phases":["C15-Ca2Ca"]},"field":"system","gate":"A1","rule":"system_of_the_state"}],"evidence_class":"dft","flags":{"calphad_check":"not_available","espei_certified":false,"espei_ready":false,"extraction_accepted":true,"review_state":"extracted","system_is_state_subsystem":true},"fold_lpo":3,"fold_lso":0,"id":"ORC-KPGWZGFUJJ","locator":{"ref":"doi:10.1007/s11661-005-0133-0/p4/tab-iii","row":17},"method":"VASP","method_basis":"printed in the table row/column","observation_type":"structural_property","origin":{"basis":"this_work+label_first_principles","class":"computed","measured_in":"doi:10.1007/s11661-005-0133-0","own_work_of_paper":true},"overall_composition":{"CA":1.0},"overall_composition_basis":"from_formula","paper":"doi:10.1007/s11661-005-0133-0","paper_id":"doi:10.1007/s11661-005-0133-0","phases":[{"label":"C15-Ca2Ca"}],"pid":"doi:10.1007/s11661-005-0133-0/p4/tab-iii/r17#structural_property","pressure_Pa":101325,"pressure_basis":"assumed_default_1_atm_not_printed","pressure_basis_stored":"unstated_assumed","property":"LATTICE_A","property_group":"crystal structure","reader_agreement":"multi_reader","reader_agreement_label":"confirmed (two or more readers)","reader_tier":"preliminary_flash+claude","readers":["claude-opus-5.5","gemini-3.8-flash","text_layer"],"record_kind":"general_table","source_system":"AL-CA","structure":{"space_group":"Fd3m","strukturbericht":"C15"},"system":"CA","temperature_K":0.0,"temperature_basis":"quantity_label","temperature_printed":"0 K (static calculation)","tool_release":"tools-release-v2.1.18","uncertainty":{"basis":"reading_resolution","value":0.0005},"uncertainty_budget":{"calibration":"orchid-uncertainty-calibration 2026-10-24 (audit round 2) sha256 6a2b5a92b0ec","quantities":{"value":{"sigma_composition":null,"sigma_conversion":null,"sigma_effective":0.09858,"sigma_method":{"basis":"prior","class":"dft","entry":"dft/priors/LATTICE_LENGTH","floor":0.01,"floor_unit":"relative (fraction of the value)","value":0.09858},"sigma_printed":null,"sigma_reading":{"basis":"last_printed_digit","value":0.0005},"sigma_scatter":null,"unit":"Å","value_type":"LATTICE_LENGTH"}},"sigma_rule":"max(sqrt(max(printed, reading, method)^2 + composition^2 + conversion^2), scatter)"},"unit":"Å","unit_stored":"Å","value":9.858,"value_stored":9.858},{"chemical_system":"CA","conditions":{"kind":"not_applicable_own_calculation"},"corrections":[{"after":"CA","before":"AL-CA","evidence":{"basis":"overall_composition_all_elements","overall_composition":{"CA":1.0},"phases":["C15-Ca2Ca"]},"field":"system","gate":"A1","rule":"system_of_the_state"}],"evidence_class":"dft","flags":{"calphad_check":"not_available","espei_certified":false,"espei_ready":false,"extraction_accepted":true,"review_state":"extracted","system_is_state_subsystem":true},"fold_lpo":3,"fold_lso":0,"id":"ORC-PID3FUQW5Z","locator":{"ref":"doi:10.1007/s11661-005-0133-0/p4/tab-iii","row":18},"method":"VASP","method_basis":"printed in the table row/column","observation_type":"structural_property","origin":{"basis":"this_work+label_first_principles","class":"computed","measured_in":"doi:10.1007/s11661-005-0133-0","own_work_of_paper":true},"overall_composition":{"CA":1.0},"overall_composition_basis":"from_formula","paper":"doi:10.1007/s11661-005-0133-0","paper_id":"doi:10.1007/s11661-005-0133-0","phases":[{"label":"C15-Ca2Ca"}],"pid":"doi:10.1007/s11661-005-0133-0/p4/tab-iii/r18#structural_property","pressure_Pa":101325,"pressure_basis":"assumed_default_1_atm_not_printed","pressure_basis_stored":"unstated_assumed","property":"LATTICE_A","property_group":"crystal structure","reader_agreement":"multi_reader","reader_agreement_label":"confirmed (two or more readers)","reader_tier":"preliminary_flash+claude","readers":["claude-opus-5.5","gemini-3.8-flash","text_layer"],"record_kind":"general_table","source_system":"AL-CA","structure":{"space_group":"Fd3m","strukturbericht":"C15"},"system":"CA","temperature_K":0.0,"temperature_basis":"quantity_label","temperature_printed":"0 K (static calculation)","tool_release":"tools-release-v2.1.18","uncertainty":{"basis":"reading_resolution","value":0.0005},"uncertainty_budget":{"calibration":"orchid-uncertainty-calibration 2026-10-24 (audit round 2) sha256 6a2b5a92b0ec","quantities":{"value":{"sigma_composition":null,"sigma_conversion":null,"sigma_effective":0.1012,"sigma_method":{"basis":"prior","class":"dft","entry":"dft/priors/LATTICE_LENGTH","floor":0.01,"floor_unit":"relative (fraction of the value)","value":0.1012},"sigma_printed":null,"sigma_reading":{"basis":"last_printed_digit","value":0.0005},"sigma_scatter":null,"unit":"Å","value_type":"LATTICE_LENGTH"}},"sigma_rule":"max(sqrt(max(printed, reading, method)^2 + composition^2 + conversion^2), scatter)"},"unit":"Å","unit_stored":"Å","value":10.123,"value_stored":10.123},{"chemical_system":"CA","conditions":{"kind":"not_applicable_own_calculation"},"corrections":[{"after":"CA","before":"AL-CA","evidence":{"basis":"overall_composition_all_elements","overall_composition":{"CA":1.0},"phases":["C15-Ca2Ca"]},"field":"system","gate":"A1","rule":"system_of_the_state"}],"evidence_class":"dft","flags":{"calphad_check":"not_available","espei_certified":false,"espei_phase_rule":{"detail":"label 'C15-Ca2Ca'","reason":"phase_label_not_mapped","result":"fail"},"espei_ready":false,"espei_ready_upstream":true,"extraction_accepted":true,"review_state":"extracted","system_is_state_subsystem":true},"fold_lpo":3,"fold_lso":0,"id":"ORC-OHVOHPTKPU.3d337a","locator":{"ref":"doi:10.1007/s11661-005-0133-0/p5/tab-iv","row":31},"merged_ids":["ORC-OHVOHPTKPU.cf7138"],"method":"WIEN2k","method_basis":"printed in the table row/column","observation_type":"equilibrium_property","origin":{"basis":"this_work+label_first_principles","class":"computed","measured_in":"doi:10.1007/s11661-005-0133-0","own_work_of_paper":true},"overall_composition":{"CA":1.0},"overall_composition_basis":"from_formula","paper":"doi:10.1007/s11661-005-0133-0","paper_id":"doi:10.1007/s11661-005-0133-0","phases":[{"label":"C15-Ca2Ca"}],"pid":"doi:10.1007/s11661-005-0133-0/p5/tab-iv/r31#equilibrium_property","pressure_Pa":101325,"pressure_basis":"assumed_default_1_atm_not_printed","pressure_basis_stored":"unstated_assumed","property":"HM_FORM","property_group":"formation","property_printed":"ΔHf","reader_agreement":"multi_reader","reader_agreement_label":"confirmed (two or more readers)","reader_tier":"preliminary_flash+claude","readers":["claude-opus-5.5","gemini-3.8-flash","text_layer"],"record_kind":"general_table","reference_state":{"CA":{"phase":"FCC_A1"}},"reference_state_stored":{"AL":{"phase":"FCC_A1"},"CA":{"phase":"FCC_A1"}},"source_system":"AL-CA","system":"CA","temperature_K":0.0,"temperature_basis":"quantity_label","temperature_printed":"0 K (static calculation)","tool_release":"tools-release-v2.1.18","uncertainty":{"basis":"stated_default","note":"5% default","value":0.41005},"uncertainty_budget":{"calibration":"orchid-uncertainty-calibration 2026-10-24 (audit round 2) sha256 6a2b5a92b0ec","quantities":{"value":{"sigma_composition":null,"sigma_conversion":null,"sigma_effective":8.395,"sigma_method":{"basis":"calibrated","ci95":[6.672,9.877],"class":"dft","entry":"dft/literature/strata/metal","floor":8.395,"floor_unit":"kJ/mol-atom","n_pairs":230,"stratum":"literature/metal","value":8.395},"sigma_printed":null,"sigma_reading":{"basis":"last_printed_digit","value":5e-05},"sigma_scatter":null,"unit":"kJ/mol-atom","value_type":"HM_FORM"}},"sigma_rule":"max(sqrt(max(printed, reading, method)^2 + composition^2 + conversion^2), scatter)"},"unit":"kJ/mol-atom","unit_basis":"column_header","unit_printed":"J/mol atom","unit_stored":"J/mol-atom","value":8.201,"value_printed":8201.0,"value_stored":8201.0},{"chemical_system":"CA","conditions":{"kind":"not_applicable_own_calculation"},"corrections":[{"after":"CA","before":"AL-CA","evidence":{"basis":"overall_composition_all_elements","overall_composition":{"CA":1.0},"phases":["C15-Ca2Ca"]},"field":"system","gate":"A1","rule":"system_of_the_state"}],"evidence_class":"dft","flags":{"calphad_check":"not_available","espei_certified":false,"espei_phase_rule":{"detail":"label 'C15-Ca2Ca'","reason":"phase_label_not_mapped","result":"fail"},"espei_ready":false,"espei_ready_upstream":true,"extraction_accepted":true,"review_state":"extracted","system_is_state_subsystem":true},"fold_lpo":3,"fold_lso":0,"id":"ORC-RU5SWY7JGW.072bed","locator":{"ref":"doi:10.1007/s11661-005-0133-0/p5/tab-iv","row":32},"merged_ids":["ORC-RU5SWY7JGW.ef4ed6"],"method":"VASP","method_basis":"printed in the table row/column","observation_type":"equilibrium_property","origin":{"basis":"this_work+label_first_principles","class":"computed","measured_in":"doi:10.1007/s11661-005-0133-0","own_work_of_paper":true},"overall_composition":{"CA":1.0},"overall_composition_basis":"from_formula","paper":"doi:10.1007/s11661-005-0133-0","paper_id":"doi:10.1007/s11661-005-0133-0","phases":[{"label":"C15-Ca2Ca"}],"pid":"doi:10.1007/s11661-005-0133-0/p5/tab-iv/r32#equilibrium_property","pressure_Pa":101325,"pressure_basis":"assumed_default_1_atm_not_printed","pressure_basis_stored":"unstated_assumed","property":"HM_FORM","property_group":"formation","property_printed":"ΔHf","reader_agreement":"multi_reader","reader_agreement_label":"confirmed (two or more readers)","reader_tier":"preliminary_flash+claude","readers":["claude-opus-5.5","gemini-3.8-flash","text_layer"],"record_kind":"general_table","reference_state":{"CA":{"phase":"FCC_A1"}},"reference_state_stored":{"AL":{"phase":"FCC_A1"},"CA":{"phase":"FCC_A1"}},"source_system":"AL-CA","system":"CA","temperature_K":0.0,"temperature_basis":"quantity_label","temperature_printed":"0 K (static calculation)","tool_release":"tools-release-v2.1.18","uncertainty":{"basis":"stated_default","note":"5% default","value":0.4354},"uncertainty_budget":{"calibration":"orchid-uncertainty-calibration 2026-10-24 (audit round 2) sha256 6a2b5a92b0ec","quantities":{"value":{"sigma_composition":null,"sigma_conversion":null,"sigma_effective":8.395,"sigma_method":{"basis":"calibrated","ci95":[6.672,9.877],"class":"dft","entry":"dft/literature/strata/metal","floor":8.395,"floor_unit":"kJ/mol-atom","n_pairs":230,"stratum":"literature/metal","value":8.395},"sigma_printed":null,"sigma_reading":{"basis":"last_printed_digit","value":5e-05},"sigma_scatter":null,"unit":"kJ/mol-atom","value_type":"HM_FORM"}},"sigma_rule":"max(sqrt(max(printed, reading, method)^2 + composition^2 + conversion^2), scatter)"},"unit":"kJ/mol-atom","unit_basis":"column_header","unit_printed":"J/mol atom","unit_stored":"J/mol-atom","value":8.708,"value_printed":8708.0,"value_stored":8708.0},{"chemical_system":"CA","conditions":{"kind":"not_applicable_own_calculation"},"corrections":[{"after":"CA","before":"AL-CA","evidence":{"basis":"overall_composition_all_elements","overall_composition":{"CA":1.0},"phases":["C15-Ca2Ca"]},"field":"system","gate":"A1","rule":"system_of_the_state"}],"evidence_class":"dft","flags":{"calphad_check":"not_available","espei_certified":false,"espei_phase_rule":{"detail":"label 'C15-Ca2Ca'","reason":"phase_label_not_mapped","result":"fail"},"espei_ready":false,"espei_ready_upstream":true,"extraction_accepted":true,"review_state":"extracted","system_is_state_subsystem":true},"fold_lpo":3,"fold_lso":0,"id":"ORC-4T6PPMNMVH.c19ed3","locator":{"ref":"doi:10.1007/s11661-005-0133-0/p5/tab-iv","row":33},"merged_ids":["ORC-4T6PPMNMVH.3e4d27"],"method":"VASP","method_basis":"printed in the table row/column","observation_type":"equilibrium_property","origin":{"basis":"this_work+label_first_principles","class":"computed","measured_in":"doi:10.1007/s11661-005-0133-0","own_work_of_paper":true},"overall_composition":{"CA":1.0},"overall_composition_basis":"from_formula","paper":"doi:10.1007/s11661-005-0133-0","paper_id":"doi:10.1007/s11661-005-0133-0","phases":[{"label":"C15-Ca2Ca"}],"pid":"doi:10.1007/s11661-005-0133-0/p5/tab-iv/r33#equilibrium_property","pressure_Pa":101325,"pressure_basis":"assumed_default_1_atm_not_printed","pressure_basis_stored":"unstated_assumed","property":"HM_FORM","property_group":"formation","property_printed":"ΔHf","reader_agreement":"multi_reader","reader_agreement_label":"confirmed (two or more readers)","reader_tier":"preliminary_flash+claude","readers":["claude-opus-5.5","gemini-3.8-flash","text_layer"],"record_kind":"general_table","reference_state":{"CA":{"phase":"FCC_A1"}},"reference_state_stored":{"AL":{"phase":"FCC_A1"},"CA":{"phase":"FCC_A1"}},"source_system":"AL-CA","system":"CA","temperature_K":0.0,"temperature_basis":"quantity_label","temperature_printed":"0 K (static calculation)","tool_release":"tools-release-v2.1.18","uncertainty":{"basis":"stated_default","note":"5% default","value":0.4091},"uncertainty_budget":{"calibration":"orchid-uncertainty-calibration 2026-10-24 (audit round 2) sha256 6a2b5a92b0ec","quantities":{"value":{"sigma_composition":null,"sigma_conversion":null,"sigma_effective":8.395,"sigma_method":{"basis":"calibrated","ci95":[6.672,9.877],"class":"dft","entry":"dft/literature/strata/metal","floor":8.395,"floor_unit":"kJ/mol-atom","n_pairs":230,"stratum":"literature/metal","value":8.395},"sigma_printed":null,"sigma_reading":{"basis":"last_printed_digit","value":5e-05},"sigma_scatter":null,"unit":"kJ/mol-atom","value_type":"HM_FORM"}},"sigma_rule":"max(sqrt(max(printed, reading, method)^2 + composition^2 + conversion^2), scatter)"},"unit":"kJ/mol-atom","unit_basis":"column_header","unit_printed":"J/mol atom","unit_stored":"J/mol-atom","value":8.182,"value_printed":8182.0,"value_stored":8182.0},{"chemical_system":"CA","conditions":{"kind":"not_applicable_own_calculation"},"corrections":[{"after":"CA","before":"AL-CA","evidence":{"basis":"overall_composition_all_elements","overall_composition":{"CA":1.0},"phases":["C15-Ca2Ca"]},"field":"system","gate":"A1","rule":"system_of_the_state"}],"evidence_class":"dft","flags":{"calphad_check":"not_available","espei_certified":false,"espei_phase_rule":{"detail":"label 'C15-Ca2Ca'","reason":"phase_label_not_mapped","result":"fail"},"espei_ready":false,"espei_ready_upstream":true,"extraction_accepted":true,"review_state":"extracted","system_is_state_subsystem":true},"fold_lpo":3,"fold_lso":0,"id":"ORC-RBRLISTFX3.c24d82","locator":{"ref":"doi:10.1007/s11661-005-0133-0/p5/tab-iv","row":34},"merged_ids":["ORC-RBRLISTFX3.f41c25"],"method":"thermodynamic evaluation","method_basis":"printed in the table row/column","observation_type":"equilibrium_property","origin":{"basis":"this_work_uncited_beside_cited_rows+title_first_principles","class":"computed","measured_in":"doi:10.1007/s11661-005-0133-0","own_work_of_paper":true},"overall_composition":{"CA":1.0},"overall_composition_basis":"from_formula","paper":"doi:10.1007/s11661-005-0133-0","paper_id":"doi:10.1007/s11661-005-0133-0","phases":[{"label":"C15-Ca2Ca"}],"pid":"doi:10.1007/s11661-005-0133-0/p5/tab-iv/r34#equilibrium_property","pressure_Pa":101325,"pressure_basis":"assumed_default_1_atm_not_printed","pressure_basis_stored":"unstated_assumed","property":"HM_FORM","property_group":"formation","property_printed":"ΔHf","reader_agreement":"multi_reader","reader_agreement_label":"confirmed (two or more readers)","reader_tier":"preliminary_flash+claude","readers":["claude-opus-5.5","gemini-3.8-flash","text_layer"],"record_kind":"general_table","reference_state":{"CA":{"phase":"FCC_A1"}},"reference_state_stored":{"AL":{"phase":"FCC_A1"},"CA":{"phase":"FCC_A1"}},"source_system":"AL-CA","system":"CA","temperature_K":0.0,"temperature_basis":"quantity_label","temperature_printed":"0 K (static calculation)","tool_release":"tools-release-v2.1.18","uncertainty":{"basis":"stated_default","note":"5% default","value":0.41005},"uncertainty_budget":{"calibration":"orchid-uncertainty-calibration 2026-10-24 (audit round 2) sha256 6a2b5a92b0ec","quantities":{"value":{"sigma_composition":null,"sigma_conversion":null,"sigma_effective":8.395,"sigma_method":{"basis":"calibrated","ci95":[6.672,9.877],"class":"dft","entry":"dft/literature/strata/metal","floor":8.395,"floor_unit":"kJ/mol-atom","n_pairs":230,"stratum":"literature/metal","value":8.395},"sigma_printed":null,"sigma_reading":{"basis":"last_printed_digit","value":5e-05},"sigma_scatter":null,"unit":"kJ/mol-atom","value_type":"HM_FORM"}},"sigma_rule":"max(sqrt(max(printed, reading, method)^2 + composition^2 + conversion^2), scatter)"},"unit":"kJ/mol-atom","unit_basis":"column_header","unit_printed":"J/mol atom","unit_stored":"J/mol-atom","value":8.201,"value_printed":8201.0,"value_stored":8201.0},{"chemical_system":"CA","conditions":{"kind":"not_applicable_own_calculation"},"corrections":[{"after":"CA","before":"CA-SN","evidence":{"basis":"phase_formula","overall_composition":{"SN":0.0},"phases":["α-Ca"]},"field":"system","gate":"A1","rule":"system_of_the_state"}],"evidence_class":"dft","flags":{"calphad_check":"not_available","espei_certified":false,"espei_ready":false,"extraction_accepted":true,"review_state":"extracted","row_state":"awaiting_reader","system_is_state_subsystem":true},"fold_lpo":0,"fold_lso":0,"id":"ORC-QIKY35G52Q.86e542","locator":{"ref":"doi:10.1016/j.actamat.2006.06.017/p4/tab-2","row":1},"method":"first-principles calculation","method_basis":"printed in the table row/column","observation_type":"equilibrium_property","origin":{"basis":"this_work+label_first_principles","class":"computed","measured_in":"doi:10.1016/j.actamat.2006.06.017","own_work_of_paper":true},"overall_composition":{},"overall_composition_basis":"from_formula","overall_composition_stored":{"SN":0.0},"paper":"doi:10.1016/j.actamat.2006.06.017","paper_id":"doi:10.1016/j.actamat.2006.06.017","phases":[{"label":"α-Ca"}],"pid":"doi:10.1016/j.actamat.2006.06.017/p4/tab-2/r01#equilibrium_property","pressure_Pa":101325,"pressure_basis":"assumed_default_1_atm_not_printed","pressure_basis_stored":"unstated_assumed","property":"CPM","property_group":"heat capacity / entropy / enthalpy","property_printed":"CP298","reader_agreement":"single_reader","reader_agreement_label":"unconfirmed (single reader)","reader_tier":"confirmed_pro","readers":["claude-opus-5.5","text_layer"],"record_kind":"general_table","source_system":"CA-SN","system":"CA","temperature_K":0.0,"temperature_basis":"quantity_label","temperature_printed":"0 K (static calculation)","tool_release":"tools-release-v2.1.18","uncertainty":{"basis":"stated_default","note":"5% default","value":1.299},"uncertainty_budget":{"calibration":"orchid-uncertainty-calibration 2026-10-24 (audit round 2) sha256 6a2b5a92b0ec","quantities":{"value":{"sigma_composition":null,"sigma_conversion":null,"sigma_effective":1.0,"sigma_method":{"basis":"prior","class":"dft","entry":"dft/priors/CPM","floor":1.0,"floor_unit":"J/K/mol","value":1.0},"sigma_printed":null,"sigma_reading":{"basis":"last_printed_digit","value":0.005},"sigma_scatter":null,"unit":"J/mol (basis unstated)/K","value_type":"CPM"}},"sigma_rule":"max(sqrt(max(printed, reading, method)^2 + composition^2 + conversion^2), scatter)"},"unit":"J/mol (basis unstated)/K","unit_basis":"column_header","unit_printed":"J/(mol K)","value":25.98,"value_printed":25.98},{"chemical_system":"CA","conditions":{"kind":"not_applicable_own_calculation"},"corrections":[{"after":"CA","before":"CA-SN","evidence":{"basis":"phase_formula","overall_composition":{"SN":0.0},"phases":["α-Ca"]},"field":"system","gate":"A1","rule":"system_of_the_state"}],"evidence_class":"dft","flags":{"calphad_check":"not_available","espei_certified":false,"espei_ready":false,"extraction_accepted":true,"review_state":"extracted","row_state":"awaiting_reader","system_is_state_subsystem":true},"fold_lpo":0,"fold_lso":0,"id":"ORC-QIKY35G52Q.bc4707","locator":{"ref":"doi:10.1016/j.actamat.2006.06.017/p4/tab-2","row":1},"method":"first-principles calculation","method_basis":"printed in the table row/column","observation_type":"equilibrium_property","origin":{"basis":"this_work+label_first_principles","class":"computed","measured_in":"doi:10.1016/j.actamat.2006.06.017","own_work_of_paper":true},"overall_composition":{},"overall_composition_basis":"from_formula","overall_composition_stored":{"SN":0.0},"paper":"doi:10.1016/j.actamat.2006.06.017","paper_id":"doi:10.1016/j.actamat.2006.06.017","phases":[{"label":"α-Ca"}],"pid":"doi:10.1016/j.actamat.2006.06.017/p4/tab-2/r01#equilibrium_property","pressure_Pa":101325,"pressure_basis":"assumed_default_1_atm_not_printed","pressure_basis_stored":"unstated_assumed","property":"SM","property_group":"heat capacity / entropy / enthalpy","property_printed":"S,298","reader_agreement":"single_reader","reader_agreement_label":"unconfirmed (single reader)","reader_tier":"confirmed_pro","readers":["claude-opus-5.5","text_layer"],"record_kind":"general_table","source_system":"CA-SN","system":"CA","temperature_K":0.0,"temperature_basis":"quantity_label","temperature_printed":"0 K (static calculation)","tool_release":"tools-release-v2.1.18","uncertainty":{"basis":"stated_default","note":"5% default","value":2.169},"uncertainty_budget":{"calibration":"orchid-uncertainty-calibration 2026-10-24 (audit round 2) sha256 6a2b5a92b0ec","quantities":{"value":{"sigma_composition":null,"sigma_conversion":null,"sigma_effective":1.0,"sigma_method":{"basis":"prior","class":"dft","entry":"dft/priors/S_ABS","floor":1.0,"floor_unit":"J/K/mol","value":1.0},"sigma_printed":null,"sigma_reading":{"basis":"last_printed_digit","value":0.005},"sigma_scatter":null,"unit":"J/mol (basis unstated)/K","value_type":"S_ABS"}},"sigma_rule":"max(sqrt(max(printed, reading, method)^2 + composition^2 + conversion^2), scatter)"},"unit":"J/mol (basis unstated)/K","unit_basis":"column_header","unit_printed":"J/(mol K)","value":43.38,"value_printed":43.38},{"chemical_system":"CA","cited_sources":[{"first_author":"Dederichs","kind":"assessment","label":"32","reference":"Dederichs PH, Schober H, Sellmyer DJ. Phonon states of elements. Landolt-Bornstein new series, group III, vol. 13a, part 7. Berlin: Springer-Verlag; 1981.","status":"resolved","year":"1981"},{"first_author":"Barin","kind":"unknown","label":"33","reference":"Barin I. Thermochemical data of pure substances. New York (NY): Weinheim; 1995.","status":"resolved","year":"1995"},{"first_author":"Winter","kind":"unknown","label":"34","reference":"Winter MJ. WebElements, 2006. Available from: http://www. webelements.com.","status":"resolved","year":"2006"},{"first_author":"Moruzzi","kind":"unknown","label":"36","reference":"Moruzzi VL, Janak JF, Schwarz K. Phys Rev B 1988;37:790.","status":"resolved","year":"1988"},{"first_author":"Chen","kind":"unknown","label":"38","reference":"Chen Q, Sundman B. Acta Mater 2001;49:947.","status":"resolved","year":"2001"},{"first_author":"Kittel","kind":"unknown","label":"40","reference":"Kittel C. Introduction to solid state physics. New York (NY): Wiley; 1996.","status":"resolved","year":"1996"}],"conditions":{"kind":"cited_source","note":"conditions in the cited source"},"corrections":[{"after":"CA","before":"CA-SN","evidence":{"basis":"phase_formula","overall_composition":{"SN":0.0},"phases":["α-Ca"]},"field":"system","gate":"A1","rule":"system_of_the_state"}],"evidence_class":"experimental","flags":{"calphad_check":"not_available","espei_certified":false,"espei_ready":false,"extraction_accepted":true,"review_state":"extracted","system_is_state_subsystem":true},"fold_lpo":0,"fold_lso":0,"id":"ORC-4JALEXMPCB.1c7d60","locator":{"ref":"doi:10.1016/j.actamat.2006.06.017/p4/tab-2","row":2},"observation_type":"equilibrium_property","origin":{"basis":"printed_source_experimental","class":"experimental","own_work_of_paper":false},"overall_composition":{},"overall_composition_basis":"from_formula","overall_composition_stored":{"SN":0.0},"paper":"doi:10.1016/j.actamat.2006.06.017","paper_id":"doi:10.1016/j.actamat.2006.06.017","phases":[{"label":"α-Ca"}],"pid":"doi:10.1016/j.actamat.2006.06.017/p4/tab-2/r02#equilibrium_property","pressure_Pa":101325,"pressure_basis":"assumed_default_1_atm_not_printed","pressure_basis_stored":"unstated_assumed","property":"CPM","property_group":"heat capacity / entropy / enthalpy","property_printed":"CP298","reader_agreement":"single_reader_text_layer","reader_agreement_label":"single reader + PDF text layer","reader_tier":"confirmed_pro","readers":["claude-opus-5.5","text_layer"],"record_kind":"general_table","source_system":"CA-SN","system":"CA","temperature_K":298.15,"temperature_basis":"quantity_label","temperature_printed":"298","tool_release":"tools-release-v2.1.18","uncertainty":{"basis":"stated_default","note":"5% default","value":1.2655},"uncertainty_budget":{"calibration":"orchid-uncertainty-calibration 2026-10-24 (audit round 2) sha256 6a2b5a92b0ec","quantities":{"value":{"sigma_composition":null,"sigma_conversion":null,"sigma_effective":0.6,"sigma_method":{"basis":"cleaned_below_threshold","ci95":[0.256323,1.118072],"class":"unknown","entry":"value_types/CPM/classes/unknown","floor":0.6,"floor_unit":"J/K/mol","n_pairs":6,"prior_source":"kubaschewski","value":0.6},"sigma_printed":null,"sigma_reading":{"basis":"last_printed_digit","value":0.005},"sigma_scatter":null,"unit":"J/mol (basis unstated)/K","value_type":"CPM"}},"sigma_rule":"max(sqrt(max(printed, reading, method)^2 + composition^2 + conversion^2), scatter)"},"unit":"J/mol (basis unstated)/K","unit_basis":"column_header","unit_printed":"J/(mol K)","value":25.31,"value_printed":25.31},{"chemical_system":"CA","cited_sources":[{"first_author":"Dederichs","kind":"assessment","label":"32","reference":"Dederichs PH, Schober H, Sellmyer DJ. Phonon states of elements. Landolt-Bornstein new series, group III, vol. 13a, part 7. Berlin: Springer-Verlag; 1981.","status":"resolved","year":"1981"},{"first_author":"Barin","kind":"unknown","label":"33","reference":"Barin I. Thermochemical data of pure substances. New York (NY): Weinheim; 1995.","status":"resolved","year":"1995"},{"first_author":"Winter","kind":"unknown","label":"34","reference":"Winter MJ. WebElements, 2006. Available from: http://www. webelements.com.","status":"resolved","year":"2006"},{"first_author":"Moruzzi","kind":"unknown","label":"36","reference":"Moruzzi VL, Janak JF, Schwarz K. Phys Rev B 1988;37:790.","status":"resolved","year":"1988"},{"first_author":"Chen","kind":"unknown","label":"38","reference":"Chen Q, Sundman B. Acta Mater 2001;49:947.","status":"resolved","year":"2001"},{"first_author":"Kittel","kind":"unknown","label":"40","reference":"Kittel C. Introduction to solid state physics. New York (NY): Wiley; 1996.","status":"resolved","year":"1996"}],"conditions":{"kind":"cited_source","note":"conditions in the cited source"},"corrections":[{"after":"CA","before":"CA-SN","evidence":{"basis":"phase_formula","overall_composition":{"SN":0.0},"phases":["α-Ca"]},"field":"system","gate":"A1","rule":"system_of_the_state"}],"evidence_class":"experimental","flags":{"calphad_check":"not_available","espei_certified":false,"espei_ready":false,"extraction_accepted":true,"review_state":"extracted","system_is_state_subsystem":true},"fold_lpo":0,"fold_lso":0,"id":"ORC-4JALEXMPCB.8d551f","locator":{"ref":"doi:10.1016/j.actamat.2006.06.017/p4/tab-2","row":2},"observation_type":"equilibrium_property","origin":{"basis":"printed_source_experimental","class":"experimental","own_work_of_paper":false},"overall_composition":{},"overall_composition_basis":"from_formula","overall_composition_stored":{"SN":0.0},"paper":"doi:10.1016/j.actamat.2006.06.017","paper_id":"doi:10.1016/j.actamat.2006.06.017","phases":[{"label":"α-Ca"}],"pid":"doi:10.1016/j.actamat.2006.06.017/p4/tab-2/r02#equilibrium_property","pressure_Pa":101325,"pressure_basis":"assumed_default_1_atm_not_printed","pressure_basis_stored":"unstated_assumed","property":"SM","property_group":"heat capacity / entropy / enthalpy","property_printed":"S,298","reader_agreement":"single_reader_text_layer","reader_agreement_label":"single reader + PDF text layer","reader_tier":"confirmed_pro","readers":["claude-opus-5.5","text_layer"],"record_kind":"general_table","source_system":"CA-SN","system":"CA","temperature_K":298.15,"temperature_basis":"quantity_label","temperature_printed":"298","tool_release":"tools-release-v2.1.18","uncertainty":{"basis":"stated_default","note":"5% default","value":2.071},"uncertainty_budget":{"calibration":"orchid-uncertainty-calibration 2026-10-24 (audit round 2) sha256 6a2b5a92b0ec","quantities":{"value":{"sigma_composition":null,"sigma_conversion":null,"sigma_effective":0.7,"sigma_method":{"basis":"calibrated","ci95":[0.285111,1.174159],"class":"unknown","entry":"value_types/S_ABS/classes/unknown","floor":0.7,"floor_unit":"J/K/mol","n_pairs":77,"value":0.7},"sigma_printed":null,"sigma_reading":{"basis":"last_printed_digit","value":0.005},"sigma_scatter":null,"unit":"J/mol (basis unstated)/K","value_type":"S_ABS"}},"sigma_rule":"max(sqrt(max(printed, reading, method)^2 + composition^2 + conversion^2), scatter)"},"unit":"J/mol (basis unstated)/K","unit_basis":"column_header","unit_printed":"J/(mol K)","value":41.42,"value_printed":41.42},{"chemical_system":"CA","conditions":{"kind":"not_applicable_own_calculation"},"corrections":[{"after":"CA","before":"CA-H","evidence":{"basis":"phase_formula","overall_composition":{"H":0.0},"phases":["Ca fcc"]},"field":"system","gate":"A1","rule":"system_of_the_state"},{"after":{"phase":"Ca fcc","space_group":"Fm-3m"},"before":null,"evidence":{"batch":"table_context_batch_07","doi":"10.1016/j.ijhydene.2011.08.018","pdf_page":5,"pdf_sha256":"51638e901963a18d06b3906de396cd7357215555fb5129bbf04292665ca62bc3","printed":"Ca fcc | Space group FM-3M | a = 5.545(5.570): calculated and parenthesised experimental value","rationale":"Printed table context for this group supplies space_group; shared fields only, row values, references, uncertainty, composition and conditions unchanged; no forward fill across groups and no inference from symmetry, composition or other papers.","report_id":"ORCHID-TC-20261027-v1","source_group_rows":[4,5],"table":"3","table_key":"t130"},"field":"structure","gate":"TC20261027","rule":"source_adjudicated_table_context","visual_check":{"checked":"2026-10-27; Claude rendered-page inspection, table-context batch 07","image_sha256":"1c9f6ddde638f4f9b8490ee468e1cdf01a5159a9dc6d214a5347544507b11390","page":5,"pdf_sha256_prefix":"51638e901963a18d","seen":"space group printed on the phase's own row (capitalised in print, written in standard case); a = 5.545(5.570): calculated and parenthesised experimental value","verdict":"confirmed"}}],"evidence_class":"dft","flags":{"calphad_check":"not_available","espei_certified":false,"espei_ready":false,"extraction_accepted":true,"review_state":"extracted","specification_gaps":["table_context_correction_requires_downstream_revalidation"],"state_fully_specified":false,"system_is_state_subsystem":true},"fold_lpo":4,"fold_lso":0,"id":"ORC-U6L2JZN7TH.8533ae","locator":{"ref":"doi:10.1016/j.ijhydene.2011.08.018/p5/tab-3","row":4},"merged_ids":["ORC-U6L2JZN7TH.97868e"],"method":"first-principles","method_basis":"printed in the table row/column","observation_type":"structural_property","origin":{"basis":"this_work+label_first_principles","class":"computed","measured_in":"doi:10.1016/j.ijhydene.2011.08.018","own_work_of_paper":true},"overall_composition":{},"overall_composition_basis":"from_formula","overall_composition_stored":{"H":0.0},"paper":"doi:10.1016/j.ijhydene.2011.08.018","paper_id":"doi:10.1016/j.ijhydene.2011.08.018","phases":[{"label":"Ca fcc","model_phase":"FCC_A1"}],"pid":"doi:10.1016/j.ijhydene.2011.08.018/p5/tab-3/r04#structural_property","pressure_Pa":101325,"pressure_basis":"assumed_default_1_atm_not_printed","pressure_basis_stored":"unstated_assumed","property":"LATTICE_A","property_group":"crystal structure","reader_agreement":"multi_reader","reader_agreement_label":"confirmed (two or more readers)","reader_tier":"confirmed_pro","readers":["claude-opus-5.5","gemini-3.1-pro-preview","text_layer"],"record_kind":"general_table","source_system":"CA-H","structure":{"phase":"Ca fcc","space_group":"Fm-3m"},"system":"CA","temperature_K":0.0,"temperature_basis":"quantity_label","temperature_printed":"0 K (static calculation)","tool_release":"tools-release-v2.1.18","uncertainty":{"basis":"reading_resolution","value":0.0005},"uncertainty_budget":{"calibration":"orchid-uncertainty-calibration 2026-10-24 (audit round 2) sha256 6a2b5a92b0ec","quantities":{"value":{"sigma_composition":null,"sigma_conversion":null,"sigma_effective":0.05545,"sigma_method":{"basis":"prior","class":"dft","entry":"dft/priors/LATTICE_LENGTH","floor":0.01,"floor_unit":"relative (fraction of the value)","value":0.05545},"sigma_printed":null,"sigma_reading":{"basis":"last_printed_digit","value":0.0005},"sigma_scatter":null,"unit":"Å","value_type":"LATTICE_LENGTH"}},"sigma_rule":"max(sqrt(max(printed, reading, method)^2 + composition^2 + conversion^2), scatter)"},"unit":"Å","unit_stored":"Å","value":5.545,"value_stored":5.545},{"chemical_system":"CA","conditions":{"kind":"paper_context_not_extracted","paper":"doi:10.1016/j.ijhydene.2011.08.018"},"corrections":[{"after":"CA","before":"CA-H","evidence":{"basis":"phase_formula","overall_composition":{"H":0.0},"phases":["Ca fcc"]},"field":"system","gate":"A1","rule":"system_of_the_state"},{"after":{"phase":"Ca fcc","space_group":"Fm-3m"},"before":null,"evidence":{"batch":"table_context_batch_07","doi":"10.1016/j.ijhydene.2011.08.018","pdf_page":5,"pdf_sha256":"51638e901963a18d06b3906de396cd7357215555fb5129bbf04292665ca62bc3","printed":"Ca fcc | Space group FM-3M | a = 5.545(5.570): calculated and parenthesised experimental value","rationale":"Printed table context for this group supplies space_group; shared fields only, row values, references, uncertainty, composition and conditions unchanged; no forward fill across groups and no inference from symmetry, composition or other papers.","report_id":"ORCHID-TC-20261027-v1","source_group_rows":[4,5],"table":"3","table_key":"t130"},"field":"structure","gate":"TC20261027","rule":"source_adjudicated_table_context","visual_check":{"checked":"2026-10-27; Claude rendered-page inspection, table-context batch 07","image_sha256":"1c9f6ddde638f4f9b8490ee468e1cdf01a5159a9dc6d214a5347544507b11390","page":5,"pdf_sha256_prefix":"51638e901963a18d","seen":"space group printed on the phase's own row (capitalised in print, written in standard case); a = 5.545(5.570): calculated and parenthesised experimental value","verdict":"confirmed"}}],"evidence_class":"experimental","flags":{"calphad_check":"not_available","espei_certified":false,"espei_ready":false,"extraction_accepted":true,"review_state":"extracted","specification_gaps":["table_context_correction_requires_downstream_revalidation"],"state_fully_specified":false,"system_is_state_subsystem":true},"fold_lpo":4,"fold_lso":0,"id":"ORC-I5RX2P45EA.5a91ca","locator":{"ref":"doi:10.1016/j.ijhydene.2011.08.018/p5/tab-3","row":5},"merged_ids":["ORC-I5RX2P45EA.bcba1a"],"observation_type":"structural_property","origin":{"basis":"printed_source_experimental","class":"experimental","measured_in":"doi:10.1016/j.ijhydene.2011.08.018","own_work_of_paper":true},"overall_composition":{},"overall_composition_basis":"from_formula","overall_composition_stored":{"H":0.0},"paper":"doi:10.1016/j.ijhydene.2011.08.018","paper_id":"doi:10.1016/j.ijhydene.2011.08.018","phases":[{"label":"Ca fcc","model_phase":"FCC_A1"}],"pid":"doi:10.1016/j.ijhydene.2011.08.018/p5/tab-3/r05#structural_property","pressure_Pa":101325,"pressure_basis":"assumed_default_1_atm_not_printed","pressure_basis_stored":"unstated_assumed","property":"LATTICE_A","property_group":"crystal structure","reader_agreement":"multi_reader","reader_agreement_label":"confirmed (two or more readers)","reader_tier":"confirmed_pro","readers":["claude-opus-5.5","gemini-3.1-pro-preview","text_layer"],"record_kind":"general_table","source_system":"CA-H","structure":{"phase":"Ca fcc","space_group":"Fm-3m"},"system":"CA","temperature_K":298.15,"temperature_basis":"assumed_room_temperature","tool_release":"tools-release-v2.1.18","uncertainty":{"basis":"reading_resolution","value":0.005},"uncertainty_budget":{"calibration":"orchid-uncertainty-calibration 2026-10-24 (audit round 2) sha256 6a2b5a92b0ec","quantities":{"value":{"sigma_composition":null,"sigma_conversion":null,"sigma_effective":0.01225,"sigma_method":{"basis":"calibrated","ci95":[0.001793,0.002549],"class":"unknown","entry":"value_types/LATTICE_LENGTH/classes/unknown","floor":0.0022,"floor_unit":"relative (fraction of the value)","n_pairs":586,"value":0.01225},"sigma_printed":null,"sigma_reading":{"basis":"last_printed_digit","value":0.005},"sigma_scatter":null,"unit":"Å","value_type":"LATTICE_LENGTH"}},"sigma_rule":"max(sqrt(max(printed, reading, method)^2 + composition^2 + conversion^2), scatter)"},"unit":"Å","unit_stored":"Å","value":5.57,"value_stored":5.57},{"chemical_system":"CA","conditions":{"kind":"not_applicable_own_calculation"},"corrections":[{"after":{"CA":1.0},"before":{"MG":0.0},"evidence":{"paper":"doi:10.1016/j.jallcom.2005.10.033","pdf_page":4,"pdf_sha256":"029c6f101194fbf9443ede0974e6bb6328feb85bb7ada2dc3d67e5b860271110","rationale":"The page-decided composition fix requires filing the record under the elements present in its state; move to CA and apply the preserved proposed fields.","report_id":"ORCHID-Y10-20261027-v1","table_key":"t033"},"field":"overall_composition","gate":"CX20261028","rule":"source_adjudicated_independent_check","visual_check":{"checked":"2026-10-27; Codex rendered-page recheck at 200 dpi with OCR assistance; AI-assisted, not human re-review; ORCHID-Y10-20261027-v1","image_sha256":"279dd38425efe778c8a37decbee96d285e895e3ac82d4f3bc53d013c5777efdd","page":4,"pdf_sha256_prefix":"029c6f101194fbf9","seen":"Table 1: WIEN2K and VASP blocks, each with Ca and Mg sub-blocks of fcc (A1), bcc (A2), hcp (A3); columns LSDA lattice constants / total energy, GGA lattice constants / total energy, experimental lattice constants (A). No temperature printed.","verdict":"confirmed"}},{"after":"CA","before":"CA-MG","evidence":{"paper":"doi:10.1016/j.jallcom.2005.10.033","pdf_page":4,"pdf_sha256":"029c6f101194fbf9443ede0974e6bb6328feb85bb7ada2dc3d67e5b860271110","rationale":"The page-decided composition fix requires filing the record under the elements present in its state; move to CA and apply the preserved proposed fields.","report_id":"ORCHID-Y10-20261027-v1","table_key":"t033"},"field":"system","gate":"CX20261028","rule":"source_adjudicated_independent_check","visual_check":{"checked":"2026-10-27; Codex rendered-page recheck at 200 dpi with OCR assistance; AI-assisted, not human re-review; ORCHID-Y10-20261027-v1","image_sha256":"279dd38425efe778c8a37decbee96d285e895e3ac82d4f3bc53d013c5777efdd","page":4,"pdf_sha256_prefix":"029c6f101194fbf9","seen":"Table 1: WIEN2K and VASP blocks, each with Ca and Mg sub-blocks of fcc (A1), bcc (A2), hcp (A3); columns LSDA lattice constants / total energy, GGA lattice constants / total energy, experimental lattice constants (A). No temperature printed.","verdict":"confirmed"}},{"after":"CA","before":null,"evidence":{"paper":"doi:10.1016/j.jallcom.2005.10.033","pdf_page":4,"pdf_sha256":"029c6f101194fbf9443ede0974e6bb6328feb85bb7ada2dc3d67e5b860271110","rationale":"The page-decided composition fix requires filing the record under the elements present in its state; move to CA and apply the preserved proposed fields.","report_id":"ORCHID-Y10-20261027-v1","table_key":"t033"},"field":"chemical_system","gate":"CX20261028","rule":"source_adjudicated_independent_check","visual_check":{"checked":"2026-10-27; Codex rendered-page recheck at 200 dpi with OCR assistance; AI-assisted, not human re-review; ORCHID-Y10-20261027-v1","image_sha256":"279dd38425efe778c8a37decbee96d285e895e3ac82d4f3bc53d013c5777efdd","page":4,"pdf_sha256_prefix":"029c6f101194fbf9","seen":"Table 1: WIEN2K and VASP blocks, each with Ca and Mg sub-blocks of fcc (A1), bcc (A2), hcp (A3); columns LSDA lattice constants / total energy, GGA lattice constants / total energy, experimental lattice constants (A). No temperature printed.","verdict":"confirmed"}},{"after":["CA"],"before":["CA","MG"],"evidence":{"paper":"doi:10.1016/j.jallcom.2005.10.033","pdf_page":4,"pdf_sha256":"029c6f101194fbf9443ede0974e6bb6328feb85bb7ada2dc3d67e5b860271110","rationale":"The page-decided composition fix requires filing the record under the elements present in its state; move to CA and apply the preserved proposed fields.","report_id":"ORCHID-Y10-20261027-v1","table_key":"t033"},"field":"elements","gate":"CX20261028","rule":"source_adjudicated_independent_check","visual_check":{"checked":"2026-10-27; Codex rendered-page recheck at 200 dpi with OCR assistance; AI-assisted, not human re-review; ORCHID-Y10-20261027-v1","image_sha256":"279dd38425efe778c8a37decbee96d285e895e3ac82d4f3bc53d013c5777efdd","page":4,"pdf_sha256_prefix":"029c6f101194fbf9","seen":"Table 1: WIEN2K and VASP blocks, each with Ca and Mg sub-blocks of fcc (A1), bcc (A2), hcp (A3); columns LSDA lattice constants / total energy, GGA lattice constants / total energy, experimental lattice constants (A). No temperature printed.","verdict":"confirmed"}}],"evidence_class":"dft","flags":{"calphad_check":"not_available","espei_certified":false,"espei_ready":false,"extraction_accepted":true,"gate_failures":["human_review_residual_concern"],"review_state":"extracted","specification_gaps":["independent_check_correction_requires_downstream_revalidation"],"state_fully_specified":false},"fold_lpo":1,"fold_lso":0,"gate_failures":[{"code":"human_review_residual_concern","detail":"Prepared for 2026.10.1; requires exporter re-filing and full invariant tests.","effect":"not_espei_ready","gate":"CX20261028"}],"id":"ORC-S5ZXHAVDSF","locator":{"ref":"doi:10.1016/j.jallcom.2005.10.033/p4/tab-1","row":1},"method":"WIEN2K","method_basis":"printed in the table row/column","observation_type":"structural_property","origin":{"basis":"this_work+label_first_principles","class":"computed","measured_in":"doi:10.1016/j.jallcom.2005.10.033","own_work_of_paper":true},"overall_composition":{"CA":1.0},"overall_composition_basis":"from_formula","paper":"doi:10.1016/j.jallcom.2005.10.033","paper_id":"doi:10.1016/j.jallcom.2005.10.033","phases":[{"label":"fcc (A1)","model_phase":"FCC_A1"}],"pid":"doi:10.1016/j.jallcom.2005.10.033/p4/tab-1/r01#structural_property","pressure_Pa":101325,"pressure_basis":"assumed_default_1_atm_not_printed","pressure_basis_stored":"unstated_assumed","property":"LATTICE_A","property_group":"crystal structure","reader_agreement":"single_reader_text_layer","reader_agreement_label":"single reader + PDF text layer","reader_tier":"preliminary_flash+claude","readers":["gemini-3.8-flash","text_layer"],"record_kind":"general_table","source_system":"CA-MG","system":"CA","temperature_K":2.0,"temperature_basis":"printed","temperature_printed":"2K","tool_release":"tools-release-v2.1.18","uncertainty":{"basis":"reading_resolution","value":0.0005},"uncertainty_budget":{"calibration":"orchid-uncertainty-calibration 2026-10-24 (audit round 2) sha256 6a2b5a92b0ec","quantities":{"value":{"sigma_composition":null,"sigma_conversion":null,"sigma_effective":0.05331,"sigma_method":{"basis":"prior","class":"dft","entry":"dft/priors/LATTICE_LENGTH","floor":0.01,"floor_unit":"relative (fraction of the value)","value":0.05331},"sigma_printed":null,"sigma_reading":{"basis":"last_printed_digit","value":0.0005},"sigma_scatter":null,"unit":"Å","value_type":"LATTICE_LENGTH"}},"sigma_rule":"max(sqrt(max(printed, reading, method)^2 + composition^2 + conversion^2), scatter)"},"unit":"Å","unit_stored":"Å","value":5.331,"value_stored":5.331},{"chemical_system":"CA","conditions":{"kind":"not_applicable_own_calculation"},"corrections":[{"after":{"CA":1.0},"before":{"MG":0.0},"evidence":{"paper":"doi:10.1016/j.jallcom.2005.10.033","pdf_page":4,"pdf_sha256":"029c6f101194fbf9443ede0974e6bb6328feb85bb7ada2dc3d67e5b860271110","rationale":"The page-decided composition fix requires filing the record under the elements present in its state; move to CA and apply the preserved proposed fields.","report_id":"ORCHID-Y10-20261027-v1","table_key":"t033"},"field":"overall_composition","gate":"CX20261028","rule":"source_adjudicated_independent_check","visual_check":{"checked":"2026-10-27; Codex rendered-page recheck at 200 dpi with OCR assistance; AI-assisted, not human re-review; ORCHID-Y10-20261027-v1","image_sha256":"279dd38425efe778c8a37decbee96d285e895e3ac82d4f3bc53d013c5777efdd","page":4,"pdf_sha256_prefix":"029c6f101194fbf9","seen":"Table 1: WIEN2K and VASP blocks, each with Ca and Mg sub-blocks of fcc (A1), bcc (A2), hcp (A3); columns LSDA lattice constants / total energy, GGA lattice constants / total energy, experimental lattice constants (A). No temperature printed.","verdict":"confirmed"}},{"after":"CA","before":"CA-MG","evidence":{"paper":"doi:10.1016/j.jallcom.2005.10.033","pdf_page":4,"pdf_sha256":"029c6f101194fbf9443ede0974e6bb6328feb85bb7ada2dc3d67e5b860271110","rationale":"The page-decided composition fix requires filing the record under the elements present in its state; move to CA and apply the preserved proposed fields.","report_id":"ORCHID-Y10-20261027-v1","table_key":"t033"},"field":"system","gate":"CX20261028","rule":"source_adjudicated_independent_check","visual_check":{"checked":"2026-10-27; Codex rendered-page recheck at 200 dpi with OCR assistance; AI-assisted, not human re-review; ORCHID-Y10-20261027-v1","image_sha256":"279dd38425efe778c8a37decbee96d285e895e3ac82d4f3bc53d013c5777efdd","page":4,"pdf_sha256_prefix":"029c6f101194fbf9","seen":"Table 1: WIEN2K and VASP blocks, each with Ca and Mg sub-blocks of fcc (A1), bcc (A2), hcp (A3); columns LSDA lattice constants / total energy, GGA lattice constants / total energy, experimental lattice constants (A). No temperature printed.","verdict":"confirmed"}},{"after":"CA","before":null,"evidence":{"paper":"doi:10.1016/j.jallcom.2005.10.033","pdf_page":4,"pdf_sha256":"029c6f101194fbf9443ede0974e6bb6328feb85bb7ada2dc3d67e5b860271110","rationale":"The page-decided composition fix requires filing the record under the elements present in its state; move to CA and apply the preserved proposed fields.","report_id":"ORCHID-Y10-20261027-v1","table_key":"t033"},"field":"chemical_system","gate":"CX20261028","rule":"source_adjudicated_independent_check","visual_check":{"checked":"2026-10-27; Codex rendered-page recheck at 200 dpi with OCR assistance; AI-assisted, not human re-review; ORCHID-Y10-20261027-v1","image_sha256":"279dd38425efe778c8a37decbee96d285e895e3ac82d4f3bc53d013c5777efdd","page":4,"pdf_sha256_prefix":"029c6f101194fbf9","seen":"Table 1: WIEN2K and VASP blocks, each with Ca and Mg sub-blocks of fcc (A1), bcc (A2), hcp (A3); columns LSDA lattice constants / total energy, GGA lattice constants / total energy, experimental lattice constants (A). No temperature printed.","verdict":"confirmed"}},{"after":["CA"],"before":["CA","MG"],"evidence":{"paper":"doi:10.1016/j.jallcom.2005.10.033","pdf_page":4,"pdf_sha256":"029c6f101194fbf9443ede0974e6bb6328feb85bb7ada2dc3d67e5b860271110","rationale":"The page-decided composition fix requires filing the record under the elements present in its state; move to CA and apply the preserved proposed fields.","report_id":"ORCHID-Y10-20261027-v1","table_key":"t033"},"field":"elements","gate":"CX20261028","rule":"source_adjudicated_independent_check","visual_check":{"checked":"2026-10-27; Codex rendered-page recheck at 200 dpi with OCR assistance; AI-assisted, not human re-review; ORCHID-Y10-20261027-v1","image_sha256":"279dd38425efe778c8a37decbee96d285e895e3ac82d4f3bc53d013c5777efdd","page":4,"pdf_sha256_prefix":"029c6f101194fbf9","seen":"Table 1: WIEN2K and VASP blocks, each with Ca and Mg sub-blocks of fcc (A1), bcc (A2), hcp (A3); columns LSDA lattice constants / total energy, GGA lattice constants / total energy, experimental lattice constants (A). No temperature printed.","verdict":"confirmed"}}],"evidence_class":"dft","flags":{"calphad_check":"not_available","espei_certified":false,"espei_ready":false,"extraction_accepted":true,"gate_failures":["human_review_residual_concern"],"review_state":"extracted","specification_gaps":["independent_check_correction_requires_downstream_revalidation"],"state_fully_specified":false},"fold_lpo":1,"fold_lso":0,"gate_failures":[{"code":"human_review_residual_concern","detail":"Prepared for 2026.10.1; requires exporter re-filing and full invariant tests.","effect":"not_espei_ready","gate":"CX20261028"}],"id":"ORC-UK2QT6EINH","locator":{"ref":"doi:10.1016/j.jallcom.2005.10.033/p4/tab-1","row":2},"method":"WIEN2K","method_basis":"printed in the table row/column","observation_type":"structural_property","origin":{"basis":"this_work+label_first_principles","class":"computed","measured_in":"doi:10.1016/j.jallcom.2005.10.033","own_work_of_paper":true},"overall_composition":{"CA":1.0},"overall_composition_basis":"from_formula","paper":"doi:10.1016/j.jallcom.2005.10.033","paper_id":"doi:10.1016/j.jallcom.2005.10.033","phases":[{"label":"fcc (A1)","model_phase":"FCC_A1"}],"pid":"doi:10.1016/j.jallcom.2005.10.033/p4/tab-1/r02#structural_property","pressure_Pa":101325,"pressure_basis":"assumed_default_1_atm_not_printed","pressure_basis_stored":"unstated_assumed","property":"LATTICE_A","property_group":"crystal structure","reader_agreement":"single_reader_text_layer","reader_agreement_label":"single reader + PDF text layer","reader_tier":"preliminary_flash+claude","readers":["gemini-3.8-flash","text_layer"],"record_kind":"general_table","source_system":"CA-MG","system":"CA","temperature_K":2.0,"temperature_basis":"printed","temperature_printed":"2K","tool_release":"tools-release-v2.1.18","uncertainty":{"basis":"reading_resolution","value":0.0005},"uncertainty_budget":{"calibration":"orchid-uncertainty-calibration 2026-10-24 (audit round 2) sha256 6a2b5a92b0ec","quantities":{"value":{"sigma_composition":null,"sigma_conversion":null,"sigma_effective":0.05545,"sigma_method":{"basis":"prior","class":"dft","entry":"dft/priors/LATTICE_LENGTH","floor":0.01,"floor_unit":"relative (fraction of the value)","value":0.05545},"sigma_printed":null,"sigma_reading":{"basis":"last_printed_digit","value":0.0005},"sigma_scatter":null,"unit":"Å","value_type":"LATTICE_LENGTH"}},"sigma_rule":"max(sqrt(max(printed, reading, method)^2 + composition^2 + conversion^2), scatter)"},"unit":"Å","unit_stored":"Å","value":5.545,"value_stored":5.545},{"chemical_system":"CA","cited_sources":[{"doi":"10.1007/bf02868307","first_author":"King","kind":"assessment","label":"59","paper":"doi:10.1007/bf02868307","reference":"H.W. King, Bull. Alloy Phase Diagr. 2 (1981) 401–402.","status":"resolved","year":"1981"}],"conditions":{"kind":"cited_source","note":"conditions in the cited source"},"corrections":[{"after":{"CA":1.0},"before":{"MG":0.0},"evidence":{"paper":"doi:10.1016/j.jallcom.2005.10.033","pdf_page":4,"pdf_sha256":"029c6f101194fbf9443ede0974e6bb6328feb85bb7ada2dc3d67e5b860271110","rationale":"The page-decided composition fix requires filing the record under the elements present in its state; move to CA and apply the preserved proposed fields.","report_id":"ORCHID-Y10-20261027-v1","table_key":"t033"},"field":"overall_composition","gate":"CX20261028","rule":"source_adjudicated_independent_check","visual_check":{"checked":"2026-10-27; Codex rendered-page recheck at 200 dpi with OCR assistance; AI-assisted, not human re-review; ORCHID-Y10-20261027-v1","image_sha256":"279dd38425efe778c8a37decbee96d285e895e3ac82d4f3bc53d013c5777efdd","page":4,"pdf_sha256_prefix":"029c6f101194fbf9","seen":"Table 1: WIEN2K and VASP blocks, each with Ca and Mg sub-blocks of fcc (A1), bcc (A2), hcp (A3); columns LSDA lattice constants / total energy, GGA lattice constants / total energy, experimental lattice constants (A). No temperature printed.","verdict":"confirmed"}},{"after":"CA","before":"CA-MG","evidence":{"paper":"doi:10.1016/j.jallcom.2005.10.033","pdf_page":4,"pdf_sha256":"029c6f101194fbf9443ede0974e6bb6328feb85bb7ada2dc3d67e5b860271110","rationale":"The page-decided composition fix requires filing the record under the elements present in its state; move to CA and apply the preserved proposed fields.","report_id":"ORCHID-Y10-20261027-v1","table_key":"t033"},"field":"system","gate":"CX20261028","rule":"source_adjudicated_independent_check","visual_check":{"checked":"2026-10-27; Codex rendered-page recheck at 200 dpi with OCR assistance; AI-assisted, not human re-review; ORCHID-Y10-20261027-v1","image_sha256":"279dd38425efe778c8a37decbee96d285e895e3ac82d4f3bc53d013c5777efdd","page":4,"pdf_sha256_prefix":"029c6f101194fbf9","seen":"Table 1: WIEN2K and VASP blocks, each with Ca and Mg sub-blocks of fcc (A1), bcc (A2), hcp (A3); columns LSDA lattice constants / total energy, GGA lattice constants / total energy, experimental lattice constants (A). No temperature printed.","verdict":"confirmed"}},{"after":"CA","before":null,"evidence":{"paper":"doi:10.1016/j.jallcom.2005.10.033","pdf_page":4,"pdf_sha256":"029c6f101194fbf9443ede0974e6bb6328feb85bb7ada2dc3d67e5b860271110","rationale":"The page-decided composition fix requires filing the record under the elements present in its state; move to CA and apply the preserved proposed fields.","report_id":"ORCHID-Y10-20261027-v1","table_key":"t033"},"field":"chemical_system","gate":"CX20261028","rule":"source_adjudicated_independent_check","visual_check":{"checked":"2026-10-27; Codex rendered-page recheck at 200 dpi with OCR assistance; AI-assisted, not human re-review; ORCHID-Y10-20261027-v1","image_sha256":"279dd38425efe778c8a37decbee96d285e895e3ac82d4f3bc53d013c5777efdd","page":4,"pdf_sha256_prefix":"029c6f101194fbf9","seen":"Table 1: WIEN2K and VASP blocks, each with Ca and Mg sub-blocks of fcc (A1), bcc (A2), hcp (A3); columns LSDA lattice constants / total energy, GGA lattice constants / total energy, experimental lattice constants (A). No temperature printed.","verdict":"confirmed"}},{"after":["CA"],"before":["CA","MG"],"evidence":{"paper":"doi:10.1016/j.jallcom.2005.10.033","pdf_page":4,"pdf_sha256":"029c6f101194fbf9443ede0974e6bb6328feb85bb7ada2dc3d67e5b860271110","rationale":"The page-decided composition fix requires filing the record under the elements present in its state; move to CA and apply the preserved proposed fields.","report_id":"ORCHID-Y10-20261027-v1","table_key":"t033"},"field":"elements","gate":"CX20261028","rule":"source_adjudicated_independent_check","visual_check":{"checked":"2026-10-27; Codex rendered-page recheck at 200 dpi with OCR assistance; AI-assisted, not human re-review; ORCHID-Y10-20261027-v1","image_sha256":"279dd38425efe778c8a37decbee96d285e895e3ac82d4f3bc53d013c5777efdd","page":4,"pdf_sha256_prefix":"029c6f101194fbf9","seen":"Table 1: WIEN2K and VASP blocks, each with Ca and Mg sub-blocks of fcc (A1), bcc (A2), hcp (A3); columns LSDA lattice constants / total energy, GGA lattice constants / total energy, experimental lattice constants (A). No temperature printed.","verdict":"confirmed"}}],"evidence_class":"experimental","flags":{"calphad_check":"not_available","espei_certified":false,"espei_ready":false,"extraction_accepted":true,"gate_failures":["human_review_residual_concern"],"review_state":"extracted","specification_gaps":["independent_check_correction_requires_downstream_revalidation"],"state_fully_specified":false},"fold_lpo":1,"fold_lso":0,"gate_failures":[{"code":"human_review_residual_concern","detail":"Prepared for 2026.10.1; requires exporter re-filing and full invariant tests.","effect":"not_espei_ready","gate":"CX20261028"}],"id":"ORC-DAZKPLPHEH","locator":{"ref":"doi:10.1016/j.jallcom.2005.10.033/p4/tab-1","row":3},"merged_ids":["ORC-TRG4Z6YVQE"],"merged_pids":["doi:10.1016/j.jallcom.2005.10.033/p4/tab-1/r16#structural_property"],"observation_type":"structural_property","origin":{"basis":"printed_source_experimental","class":"experimental","measured_in":"doi:10.1007/bf02868307","own_work_of_paper":false},"overall_composition":{"CA":1.0},"overall_composition_basis":"from_formula","paper":"doi:10.1016/j.jallcom.2005.10.033","paper_id":"doi:10.1016/j.jallcom.2005.10.033","phases":[{"label":"fcc (A1)","model_phase":"FCC_A1"}],"pid":"doi:10.1016/j.jallcom.2005.10.033/p4/tab-1/r03#structural_property","pressure_Pa":101325,"pressure_basis":"assumed_default_1_atm_not_printed","pressure_basis_stored":"unstated_assumed","property":"LATTICE_A","property_group":"crystal structure","reader_agreement":"multi_reader","reader_agreement_label":"confirmed (two or more readers)","reader_tier":"preliminary_flash+claude","readers":["claude-opus-5.5","gemini-3.8-flash","text_layer"],"record_kind":"general_table","source_system":"CA-MG","structure":{"strukturbericht":"A1"},"system":"CA","temperature_K":2.0,"temperature_basis":"printed","temperature_printed":"2K","tool_release":"tools-release-v2.1.18","uncertainty":{"basis":"reading_resolution","value":0.0005},"uncertainty_budget":{"calibration":"orchid-uncertainty-calibration 2026-10-24 (audit round 2) sha256 6a2b5a92b0ec","quantities":{"value":{"sigma_composition":null,"sigma_conversion":null,"sigma_effective":0.01229,"sigma_method":{"basis":"calibrated","ci95":[0.001793,0.002549],"class":"unknown","entry":"value_types/LATTICE_LENGTH/classes/unknown","floor":0.0022,"floor_unit":"relative (fraction of the value)","n_pairs":586,"value":0.01229},"sigma_printed":null,"sigma_reading":{"basis":"last_printed_digit","value":0.0005},"sigma_scatter":null,"unit":"Å","value_type":"LATTICE_LENGTH"}},"sigma_rule":"max(sqrt(max(printed, reading, method)^2 + composition^2 + conversion^2), scatter)"},"unit":"Å","unit_stored":"Å","value":5.588,"value_stored":5.588},{"chemical_system":"CA","conditions":{"kind":"not_applicable_own_calculation"},"corrections":[{"after":{"CA":1.0},"before":{"MG":0.0},"evidence":{"paper":"doi:10.1016/j.jallcom.2005.10.033","pdf_page":4,"pdf_sha256":"029c6f101194fbf9443ede0974e6bb6328feb85bb7ada2dc3d67e5b860271110","rationale":"The page-decided composition fix requires filing the record under the elements present in its state; move to CA and apply the preserved proposed fields.","report_id":"ORCHID-Y10-20261027-v1","table_key":"t033"},"field":"overall_composition","gate":"CX20261028","rule":"source_adjudicated_independent_check","visual_check":{"checked":"2026-10-27; Codex rendered-page recheck at 200 dpi with OCR assistance; AI-assisted, not human re-review; ORCHID-Y10-20261027-v1","image_sha256":"279dd38425efe778c8a37decbee96d285e895e3ac82d4f3bc53d013c5777efdd","page":4,"pdf_sha256_prefix":"029c6f101194fbf9","seen":"Table 1: WIEN2K and VASP blocks, each with Ca and Mg sub-blocks of fcc (A1), bcc (A2), hcp (A3); columns LSDA lattice constants / total energy, GGA lattice constants / total energy, experimental lattice constants (A). No temperature printed.","verdict":"confirmed"}},{"after":"CA","before":"CA-MG","evidence":{"paper":"doi:10.1016/j.jallcom.2005.10.033","pdf_page":4,"pdf_sha256":"029c6f101194fbf9443ede0974e6bb6328feb85bb7ada2dc3d67e5b860271110","rationale":"The page-decided composition fix requires filing the record under the elements present in its state; move to CA and apply the preserved proposed fields.","report_id":"ORCHID-Y10-20261027-v1","table_key":"t033"},"field":"system","gate":"CX20261028","rule":"source_adjudicated_independent_check","visual_check":{"checked":"2026-10-27; Codex rendered-page recheck at 200 dpi with OCR assistance; AI-assisted, not human re-review; ORCHID-Y10-20261027-v1","image_sha256":"279dd38425efe778c8a37decbee96d285e895e3ac82d4f3bc53d013c5777efdd","page":4,"pdf_sha256_prefix":"029c6f101194fbf9","seen":"Table 1: WIEN2K and VASP blocks, each with Ca and Mg sub-blocks of fcc (A1), bcc (A2), hcp (A3); columns LSDA lattice constants / total energy, GGA lattice constants / total energy, experimental lattice constants (A). No temperature printed.","verdict":"confirmed"}},{"after":"CA","before":null,"evidence":{"paper":"doi:10.1016/j.jallcom.2005.10.033","pdf_page":4,"pdf_sha256":"029c6f101194fbf9443ede0974e6bb6328feb85bb7ada2dc3d67e5b860271110","rationale":"The page-decided composition fix requires filing the record under the elements present in its state; move to CA and apply the preserved proposed fields.","report_id":"ORCHID-Y10-20261027-v1","table_key":"t033"},"field":"chemical_system","gate":"CX20261028","rule":"source_adjudicated_independent_check","visual_check":{"checked":"2026-10-27; Codex rendered-page recheck at 200 dpi with OCR assistance; AI-assisted, not human re-review; ORCHID-Y10-20261027-v1","image_sha256":"279dd38425efe778c8a37decbee96d285e895e3ac82d4f3bc53d013c5777efdd","page":4,"pdf_sha256_prefix":"029c6f101194fbf9","seen":"Table 1: WIEN2K and VASP blocks, each with Ca and Mg sub-blocks of fcc (A1), bcc (A2), hcp (A3); columns LSDA lattice constants / total energy, GGA lattice constants / total energy, experimental lattice constants (A). No temperature printed.","verdict":"confirmed"}},{"after":["CA"],"before":["CA","MG"],"evidence":{"paper":"doi:10.1016/j.jallcom.2005.10.033","pdf_page":4,"pdf_sha256":"029c6f101194fbf9443ede0974e6bb6328feb85bb7ada2dc3d67e5b860271110","rationale":"The page-decided composition fix requires filing the record under the elements present in its state; move to CA and apply the preserved proposed fields.","report_id":"ORCHID-Y10-20261027-v1","table_key":"t033"},"field":"elements","gate":"CX20261028","rule":"source_adjudicated_independent_check","visual_check":{"checked":"2026-10-27; Codex rendered-page recheck at 200 dpi with OCR assistance; AI-assisted, not human re-review; ORCHID-Y10-20261027-v1","image_sha256":"279dd38425efe778c8a37decbee96d285e895e3ac82d4f3bc53d013c5777efdd","page":4,"pdf_sha256_prefix":"029c6f101194fbf9","seen":"Table 1: WIEN2K and VASP blocks, each with Ca and Mg sub-blocks of fcc (A1), bcc (A2), hcp (A3); columns LSDA lattice constants / total energy, GGA lattice constants / total energy, experimental lattice constants (A). No temperature printed.","verdict":"confirmed"}}],"evidence_class":"dft","flags":{"calphad_check":"not_available","espei_certified":false,"espei_ready":false,"extraction_accepted":true,"gate_failures":["human_review_residual_concern"],"review_state":"extracted","specification_gaps":["independent_check_correction_requires_downstream_revalidation"],"state_fully_specified":false},"fold_lpo":1,"fold_lso":0,"gate_failures":[{"code":"human_review_residual_concern","detail":"Prepared for 2026.10.1; requires exporter re-filing and full invariant tests.","effect":"not_espei_ready","gate":"CX20261028"}],"id":"ORC-TE65RFLY3N","locator":{"ref":"doi:10.1016/j.jallcom.2005.10.033/p4/tab-1","row":4},"method":"WIEN2K","method_basis":"printed in the table row/column","observation_type":"structural_property","origin":{"basis":"this_work+label_first_principles","class":"computed","measured_in":"doi:10.1016/j.jallcom.2005.10.033","own_work_of_paper":true},"overall_composition":{"CA":1.0},"overall_composition_basis":"from_formula","paper":"doi:10.1016/j.jallcom.2005.10.033","paper_id":"doi:10.1016/j.jallcom.2005.10.033","phases":[{"label":"bcc (A2)","model_phase":"BCC_A2"}],"pid":"doi:10.1016/j.jallcom.2005.10.033/p4/tab-1/r04#structural_property","pressure_Pa":101325,"pressure_basis":"assumed_default_1_atm_not_printed","pressure_basis_stored":"unstated_assumed","property":"LATTICE_A","property_group":"crystal structure","reader_agreement":"single_reader_text_layer","reader_agreement_label":"single reader + PDF text layer","reader_tier":"preliminary_flash+claude","readers":["gemini-3.8-flash","text_layer"],"record_kind":"general_table","source_system":"CA-MG","system":"CA","temperature_K":2.0,"temperature_basis":"printed","temperature_printed":"2K","tool_release":"tools-release-v2.1.18","uncertainty":{"basis":"reading_resolution","value":0.0005},"uncertainty_budget":{"calibration":"orchid-uncertainty-calibration 2026-10-24 (audit round 2) sha256 6a2b5a92b0ec","quantities":{"value":{"sigma_composition":null,"sigma_conversion":null,"sigma_effective":0.04211,"sigma_method":{"basis":"prior","class":"dft","entry":"dft/priors/LATTICE_LENGTH","floor":0.01,"floor_unit":"relative (fraction of the value)","value":0.04211},"sigma_printed":null,"sigma_reading":{"basis":"last_printed_digit","value":0.0005},"sigma_scatter":null,"unit":"Å","value_type":"LATTICE_LENGTH"}},"sigma_rule":"max(sqrt(max(printed, reading, method)^2 + composition^2 + conversion^2), scatter)"},"unit":"Å","unit_stored":"Å","value":4.211,"value_stored":4.211},{"chemical_system":"CA","cited_sources":[{"doi":"10.1007/bf02892394","first_author":"King","kind":"assessment","label":"60","paper":"doi:10.1007/bf02892394","reference":"H.W. King, Bull. Alloy Phase Diagr. 3 (1982) 275–276.","status":"resolved","year":"1982"}],"conditions":{"kind":"cited_source","note":"conditions in the cited source"},"corrections":[{"after":{"CA":1.0},"before":{"MG":0.0},"evidence":{"paper":"doi:10.1016/j.jallcom.2005.10.033","pdf_page":4,"pdf_sha256":"029c6f101194fbf9443ede0974e6bb6328feb85bb7ada2dc3d67e5b860271110","rationale":"The page-decided composition fix requires filing the record under the elements present in its state; move to CA and apply the preserved proposed fields.","report_id":"ORCHID-Y10-20261027-v1","table_key":"t033"},"field":"overall_composition","gate":"CX20261028","rule":"source_adjudicated_independent_check","visual_check":{"checked":"2026-10-27; Codex rendered-page recheck at 200 dpi with OCR assistance; AI-assisted, not human re-review; ORCHID-Y10-20261027-v1","image_sha256":"279dd38425efe778c8a37decbee96d285e895e3ac82d4f3bc53d013c5777efdd","page":4,"pdf_sha256_prefix":"029c6f101194fbf9","seen":"Table 1: WIEN2K and VASP blocks, each with Ca and Mg sub-blocks of fcc (A1), bcc (A2), hcp (A3); columns LSDA lattice constants / total energy, GGA lattice constants / total energy, experimental lattice constants (A). No temperature printed.","verdict":"confirmed"}},{"after":"CA","before":"CA-MG","evidence":{"paper":"doi:10.1016/j.jallcom.2005.10.033","pdf_page":4,"pdf_sha256":"029c6f101194fbf9443ede0974e6bb6328feb85bb7ada2dc3d67e5b860271110","rationale":"The page-decided composition fix requires filing the record under the elements present in its state; move to CA and apply the preserved proposed fields.","report_id":"ORCHID-Y10-20261027-v1","table_key":"t033"},"field":"system","gate":"CX20261028","rule":"source_adjudicated_independent_check","visual_check":{"checked":"2026-10-27; Codex rendered-page recheck at 200 dpi with OCR assistance; AI-assisted, not human re-review; ORCHID-Y10-20261027-v1","image_sha256":"279dd38425efe778c8a37decbee96d285e895e3ac82d4f3bc53d013c5777efdd","page":4,"pdf_sha256_prefix":"029c6f101194fbf9","seen":"Table 1: WIEN2K and VASP blocks, each with Ca and Mg sub-blocks of fcc (A1), bcc (A2), hcp (A3); columns LSDA lattice constants / total energy, GGA lattice constants / total energy, experimental lattice constants (A). No temperature printed.","verdict":"confirmed"}},{"after":"CA","before":null,"evidence":{"paper":"doi:10.1016/j.jallcom.2005.10.033","pdf_page":4,"pdf_sha256":"029c6f101194fbf9443ede0974e6bb6328feb85bb7ada2dc3d67e5b860271110","rationale":"The page-decided composition fix requires filing the record under the elements present in its state; move to CA and apply the preserved proposed fields.","report_id":"ORCHID-Y10-20261027-v1","table_key":"t033"},"field":"chemical_system","gate":"CX20261028","rule":"source_adjudicated_independent_check","visual_check":{"checked":"2026-10-27; Codex rendered-page recheck at 200 dpi with OCR assistance; AI-assisted, not human re-review; ORCHID-Y10-20261027-v1","image_sha256":"279dd38425efe778c8a37decbee96d285e895e3ac82d4f3bc53d013c5777efdd","page":4,"pdf_sha256_prefix":"029c6f101194fbf9","seen":"Table 1: WIEN2K and VASP blocks, each with Ca and Mg sub-blocks of fcc (A1), bcc (A2), hcp (A3); columns LSDA lattice constants / total energy, GGA lattice constants / total energy, experimental lattice constants (A). No temperature printed.","verdict":"confirmed"}},{"after":["CA"],"before":["CA","MG"],"evidence":{"paper":"doi:10.1016/j.jallcom.2005.10.033","pdf_page":4,"pdf_sha256":"029c6f101194fbf9443ede0974e6bb6328feb85bb7ada2dc3d67e5b860271110","rationale":"The page-decided composition fix requires filing the record under the elements present in its state; move to CA and apply the preserved proposed fields.","report_id":"ORCHID-Y10-20261027-v1","table_key":"t033"},"field":"elements","gate":"CX20261028","rule":"source_adjudicated_independent_check","visual_check":{"checked":"2026-10-27; Codex rendered-page recheck at 200 dpi with OCR assistance; AI-assisted, not human re-review; ORCHID-Y10-20261027-v1","image_sha256":"279dd38425efe778c8a37decbee96d285e895e3ac82d4f3bc53d013c5777efdd","page":4,"pdf_sha256_prefix":"029c6f101194fbf9","seen":"Table 1: WIEN2K and VASP blocks, each with Ca and Mg sub-blocks of fcc (A1), bcc (A2), hcp (A3); columns LSDA lattice constants / total energy, GGA lattice constants / total energy, experimental lattice constants (A). No temperature printed.","verdict":"confirmed"}}],"evidence_class":"experimental","flags":{"calphad_check":"not_available","espei_certified":false,"espei_ready":false,"extraction_accepted":true,"gate_failures":["human_review_residual_concern"],"review_state":"extracted","specification_gaps":["independent_check_correction_requires_downstream_revalidation"],"state_fully_specified":false},"fold_lpo":1,"fold_lso":0,"gate_failures":[{"code":"human_review_residual_concern","detail":"Prepared for 2026.10.1; requires exporter re-filing and full invariant tests.","effect":"not_espei_ready","gate":"CX20261028"}],"id":"ORC-ARPT66UXCM","locator":{"ref":"doi:10.1016/j.jallcom.2005.10.033/p4/tab-1","row":5},"merged_ids":["ORC-FZFVSJQ47Q"],"merged_pids":["doi:10.1016/j.jallcom.2005.10.033/p4/tab-1/r19#structural_property"],"observation_type":"structural_property","origin":{"basis":"printed_source_experimental","class":"experimental","own_work_of_paper":false},"overall_composition":{"CA":1.0},"overall_composition_basis":"from_formula","paper":"doi:10.1016/j.jallcom.2005.10.033","paper_id":"doi:10.1016/j.jallcom.2005.10.033","phases":[{"label":"bcc (A2)","model_phase":"BCC_A2"}],"pid":"doi:10.1016/j.jallcom.2005.10.033/p4/tab-1/r05#structural_property","pressure_Pa":101325,"pressure_basis":"assumed_default_1_atm_not_printed","pressure_basis_stored":"unstated_assumed","property":"LATTICE_A","property_group":"crystal structure","reader_agreement":"multi_reader","reader_agreement_label":"confirmed (two or more readers)","reader_tier":"preliminary_flash+claude","readers":["claude-opus-5.5","gemini-3.8-flash","text_layer"],"record_kind":"general_table","source_system":"CA-MG","structure":{"strukturbericht":"A2"},"system":"CA","temperature_K":2.0,"temperature_basis":"printed","temperature_printed":"2K","tool_release":"tools-release-v2.1.18","uncertainty":{"basis":"reading_resolution","value":0.005},"uncertainty_budget":{"calibration":"orchid-uncertainty-calibration 2026-10-24 (audit round 2) sha256 6a2b5a92b0ec","quantities":{"value":{"sigma_composition":null,"sigma_conversion":null,"sigma_effective":0.009856,"sigma_method":{"basis":"calibrated","ci95":[0.001793,0.002549],"class":"unknown","entry":"value_types/LATTICE_LENGTH/classes/unknown","floor":0.0022,"floor_unit":"relative (fraction of the value)","n_pairs":586,"value":0.009856},"sigma_printed":null,"sigma_reading":{"basis":"last_printed_digit","value":0.005},"sigma_scatter":null,"unit":"Å","value_type":"LATTICE_LENGTH"}},"sigma_rule":"max(sqrt(max(printed, reading, method)^2 + composition^2 + conversion^2), scatter)"},"unit":"Å","unit_stored":"Å","value":4.48,"value_stored":4.48},{"chemical_system":"CA","conditions":{"kind":"not_applicable_own_calculation"},"corrections":[{"after":{"CA":1.0},"before":{"MG":0.0},"evidence":{"paper":"doi:10.1016/j.jallcom.2005.10.033","pdf_page":4,"pdf_sha256":"029c6f101194fbf9443ede0974e6bb6328feb85bb7ada2dc3d67e5b860271110","rationale":"The page-decided composition fix requires filing the record under the elements present in its state; move to CA and apply the preserved proposed fields.","report_id":"ORCHID-Y10-20261027-v1","table_key":"t033"},"field":"overall_composition","gate":"CX20261028","rule":"source_adjudicated_independent_check","visual_check":{"checked":"2026-10-27; Codex rendered-page recheck at 200 dpi with OCR assistance; AI-assisted, not human re-review; ORCHID-Y10-20261027-v1","image_sha256":"279dd38425efe778c8a37decbee96d285e895e3ac82d4f3bc53d013c5777efdd","page":4,"pdf_sha256_prefix":"029c6f101194fbf9","seen":"Table 1: WIEN2K and VASP blocks, each with Ca and Mg sub-blocks of fcc (A1), bcc (A2), hcp (A3); columns LSDA lattice constants / total energy, GGA lattice constants / total energy, experimental lattice constants (A). No temperature printed.","verdict":"confirmed"}},{"after":"CA","before":"CA-MG","evidence":{"paper":"doi:10.1016/j.jallcom.2005.10.033","pdf_page":4,"pdf_sha256":"029c6f101194fbf9443ede0974e6bb6328feb85bb7ada2dc3d67e5b860271110","rationale":"The page-decided composition fix requires filing the record under the elements present in its state; move to CA and apply the preserved proposed fields.","report_id":"ORCHID-Y10-20261027-v1","table_key":"t033"},"field":"system","gate":"CX20261028","rule":"source_adjudicated_independent_check","visual_check":{"checked":"2026-10-27; Codex rendered-page recheck at 200 dpi with OCR assistance; AI-assisted, not human re-review; ORCHID-Y10-20261027-v1","image_sha256":"279dd38425efe778c8a37decbee96d285e895e3ac82d4f3bc53d013c5777efdd","page":4,"pdf_sha256_prefix":"029c6f101194fbf9","seen":"Table 1: WIEN2K and VASP blocks, each with Ca and Mg sub-blocks of fcc (A1), bcc (A2), hcp (A3); columns LSDA lattice constants / total energy, GGA lattice constants / total energy, experimental lattice constants (A). No temperature printed.","verdict":"confirmed"}},{"after":"CA","before":null,"evidence":{"paper":"doi:10.1016/j.jallcom.2005.10.033","pdf_page":4,"pdf_sha256":"029c6f101194fbf9443ede0974e6bb6328feb85bb7ada2dc3d67e5b860271110","rationale":"The page-decided composition fix requires filing the record under the elements present in its state; move to CA and apply the preserved proposed fields.","report_id":"ORCHID-Y10-20261027-v1","table_key":"t033"},"field":"chemical_system","gate":"CX20261028","rule":"source_adjudicated_independent_check","visual_check":{"checked":"2026-10-27; Codex rendered-page recheck at 200 dpi with OCR assistance; AI-assisted, not human re-review; ORCHID-Y10-20261027-v1","image_sha256":"279dd38425efe778c8a37decbee96d285e895e3ac82d4f3bc53d013c5777efdd","page":4,"pdf_sha256_prefix":"029c6f101194fbf9","seen":"Table 1: WIEN2K and VASP blocks, each with Ca and Mg sub-blocks of fcc (A1), bcc (A2), hcp (A3); columns LSDA lattice constants / total energy, GGA lattice constants / total energy, experimental lattice constants (A). No temperature printed.","verdict":"confirmed"}},{"after":["CA"],"before":["CA","MG"],"evidence":{"paper":"doi:10.1016/j.jallcom.2005.10.033","pdf_page":4,"pdf_sha256":"029c6f101194fbf9443ede0974e6bb6328feb85bb7ada2dc3d67e5b860271110","rationale":"The page-decided composition fix requires filing the record under the elements present in its state; move to CA and apply the preserved proposed fields.","report_id":"ORCHID-Y10-20261027-v1","table_key":"t033"},"field":"elements","gate":"CX20261028","rule":"source_adjudicated_independent_check","visual_check":{"checked":"2026-10-27; Codex rendered-page recheck at 200 dpi with OCR assistance; AI-assisted, not human re-review; ORCHID-Y10-20261027-v1","image_sha256":"279dd38425efe778c8a37decbee96d285e895e3ac82d4f3bc53d013c5777efdd","page":4,"pdf_sha256_prefix":"029c6f101194fbf9","seen":"Table 1: WIEN2K and VASP blocks, each with Ca and Mg sub-blocks of fcc (A1), bcc (A2), hcp (A3); columns LSDA lattice constants / total energy, GGA lattice constants / total energy, experimental lattice constants (A). No temperature printed.","verdict":"confirmed"}}],"evidence_class":"dft","flags":{"calphad_check":"not_available","espei_certified":false,"espei_ready":false,"extraction_accepted":true,"gate_failures":["human_review_residual_concern"],"review_state":"extracted","specification_gaps":["independent_check_correction_requires_downstream_revalidation"],"state_fully_specified":false},"fold_lpo":1,"fold_lso":0,"gate_failures":[{"code":"human_review_residual_concern","detail":"Prepared for 2026.10.1; requires exporter re-filing and full invariant tests.","effect":"not_espei_ready","gate":"CX20261028"}],"id":"ORC-Y22VO4OTBZ.17db4f","locator":{"ref":"doi:10.1016/j.jallcom.2005.10.033/p4/tab-1","row":6},"method":"WIEN2K","method_basis":"printed in the table row/column","observation_type":"structural_property","origin":{"basis":"this_work+label_first_principles","class":"computed","measured_in":"doi:10.1016/j.jallcom.2005.10.033","own_work_of_paper":true},"overall_composition":{"CA":1.0},"overall_composition_basis":"from_formula","paper":"doi:10.1016/j.jallcom.2005.10.033","paper_id":"doi:10.1016/j.jallcom.2005.10.033","phases":[{"label":"hcp (A3)","model_phase":"HCP_A3"}],"pid":"doi:10.1016/j.jallcom.2005.10.033/p4/tab-1/r06#structural_property","pressure_Pa":101325,"pressure_basis":"assumed_default_1_atm_not_printed","pressure_basis_stored":"unstated_assumed","property":"LATTICE_C","property_group":"crystal structure","reader_agreement":"multi_reader","reader_agreement_label":"confirmed (two or more readers)","reader_tier":"preliminary_flash+claude","readers":["claude-opus-5.5","gemini-3.8-flash","text_layer"],"record_kind":"general_table","source_system":"CA-MG","structure":{"strukturbericht":"A3"},"system":"CA","temperature_K":2.0,"temperature_basis":"printed","temperature_printed":"2K","tool_release":"tools-release-v2.1.18","uncertainty":{"basis":"reading_resolution","value":0.0005},"uncertainty_budget":{"calibration":"orchid-uncertainty-calibration 2026-10-24 (audit round 2) sha256 6a2b5a92b0ec","quantities":{"value":{"sigma_composition":null,"sigma_conversion":null,"sigma_effective":0.06228,"sigma_method":{"basis":"prior","class":"dft","entry":"dft/priors/LATTICE_LENGTH","floor":0.01,"floor_unit":"relative (fraction of the value)","value":0.06228},"sigma_printed":null,"sigma_reading":{"basis":"last_printed_digit","value":0.0005},"sigma_scatter":null,"unit":"Å","value_type":"LATTICE_LENGTH"}},"sigma_rule":"max(sqrt(max(printed, reading, method)^2 + composition^2 + conversion^2), scatter)"},"unit":"Å","unit_stored":"Å","value":6.228,"value_stored":6.228},{"chemical_system":"CA","conditions":{"kind":"not_applicable_own_calculation"},"corrections":[{"after":{"CA":1.0},"before":{"MG":0.0},"evidence":{"paper":"doi:10.1016/j.jallcom.2005.10.033","pdf_page":4,"pdf_sha256":"029c6f101194fbf9443ede0974e6bb6328feb85bb7ada2dc3d67e5b860271110","rationale":"The page-decided composition fix requires filing the record under the elements present in its state; move to CA and apply the preserved proposed fields.","report_id":"ORCHID-Y10-20261027-v1","table_key":"t033"},"field":"overall_composition","gate":"CX20261028","rule":"source_adjudicated_independent_check","visual_check":{"checked":"2026-10-27; Codex rendered-page recheck at 200 dpi with OCR assistance; AI-assisted, not human re-review; ORCHID-Y10-20261027-v1","image_sha256":"279dd38425efe778c8a37decbee96d285e895e3ac82d4f3bc53d013c5777efdd","page":4,"pdf_sha256_prefix":"029c6f101194fbf9","seen":"Table 1: WIEN2K and VASP blocks, each with Ca and Mg sub-blocks of fcc (A1), bcc (A2), hcp (A3); columns LSDA lattice constants / total energy, GGA lattice constants / total energy, experimental lattice constants (A). No temperature printed.","verdict":"confirmed"}},{"after":"CA","before":"CA-MG","evidence":{"paper":"doi:10.1016/j.jallcom.2005.10.033","pdf_page":4,"pdf_sha256":"029c6f101194fbf9443ede0974e6bb6328feb85bb7ada2dc3d67e5b860271110","rationale":"The page-decided composition fix requires filing the record under the elements present in its state; move to CA and apply the preserved proposed fields.","report_id":"ORCHID-Y10-20261027-v1","table_key":"t033"},"field":"system","gate":"CX20261028","rule":"source_adjudicated_independent_check","visual_check":{"checked":"2026-10-27; Codex rendered-page recheck at 200 dpi with OCR assistance; AI-assisted, not human re-review; ORCHID-Y10-20261027-v1","image_sha256":"279dd38425efe778c8a37decbee96d285e895e3ac82d4f3bc53d013c5777efdd","page":4,"pdf_sha256_prefix":"029c6f101194fbf9","seen":"Table 1: WIEN2K and VASP blocks, each with Ca and Mg sub-blocks of fcc (A1), bcc (A2), hcp (A3); columns LSDA lattice constants / total energy, GGA lattice constants / total energy, experimental lattice constants (A). No temperature printed.","verdict":"confirmed"}},{"after":"CA","before":null,"evidence":{"paper":"doi:10.1016/j.jallcom.2005.10.033","pdf_page":4,"pdf_sha256":"029c6f101194fbf9443ede0974e6bb6328feb85bb7ada2dc3d67e5b860271110","rationale":"The page-decided composition fix requires filing the record under the elements present in its state; move to CA and apply the preserved proposed fields.","report_id":"ORCHID-Y10-20261027-v1","table_key":"t033"},"field":"chemical_system","gate":"CX20261028","rule":"source_adjudicated_independent_check","visual_check":{"checked":"2026-10-27; Codex rendered-page recheck at 200 dpi with OCR assistance; AI-assisted, not human re-review; ORCHID-Y10-20261027-v1","image_sha256":"279dd38425efe778c8a37decbee96d285e895e3ac82d4f3bc53d013c5777efdd","page":4,"pdf_sha256_prefix":"029c6f101194fbf9","seen":"Table 1: WIEN2K and VASP blocks, each with Ca and Mg sub-blocks of fcc (A1), bcc (A2), hcp (A3); columns LSDA lattice constants / total energy, GGA lattice constants / total energy, experimental lattice constants (A). No temperature printed.","verdict":"confirmed"}},{"after":["CA"],"before":["CA","MG"],"evidence":{"paper":"doi:10.1016/j.jallcom.2005.10.033","pdf_page":4,"pdf_sha256":"029c6f101194fbf9443ede0974e6bb6328feb85bb7ada2dc3d67e5b860271110","rationale":"The page-decided composition fix requires filing the record under the elements present in its state; move to CA and apply the preserved proposed fields.","report_id":"ORCHID-Y10-20261027-v1","table_key":"t033"},"field":"elements","gate":"CX20261028","rule":"source_adjudicated_independent_check","visual_check":{"checked":"2026-10-27; Codex rendered-page recheck at 200 dpi with OCR assistance; AI-assisted, not human re-review; ORCHID-Y10-20261027-v1","image_sha256":"279dd38425efe778c8a37decbee96d285e895e3ac82d4f3bc53d013c5777efdd","page":4,"pdf_sha256_prefix":"029c6f101194fbf9","seen":"Table 1: WIEN2K and VASP blocks, each with Ca and Mg sub-blocks of fcc (A1), bcc (A2), hcp (A3); columns LSDA lattice constants / total energy, GGA lattice constants / total energy, experimental lattice constants (A). No temperature printed.","verdict":"confirmed"}}],"evidence_class":"dft","flags":{"calphad_check":"not_available","espei_certified":false,"espei_ready":false,"extraction_accepted":true,"gate_failures":["human_review_residual_concern"],"review_state":"extracted","specification_gaps":["independent_check_correction_requires_downstream_revalidation"],"state_fully_specified":false},"fold_lpo":1,"fold_lso":0,"gate_failures":[{"code":"human_review_residual_concern","detail":"Prepared for 2026.10.1; requires exporter re-filing and full invariant tests.","effect":"not_espei_ready","gate":"CX20261028"}],"id":"ORC-Y22VO4OTBZ.ab0538","locator":{"ref":"doi:10.1016/j.jallcom.2005.10.033/p4/tab-1","row":6},"method":"WIEN2K","method_basis":"printed in the table row/column","observation_type":"structural_property","origin":{"basis":"this_work+label_first_principles","class":"computed","measured_in":"doi:10.1016/j.jallcom.2005.10.033","own_work_of_paper":true},"overall_composition":{"CA":1.0},"overall_composition_basis":"from_formula","paper":"doi:10.1016/j.jallcom.2005.10.033","paper_id":"doi:10.1016/j.jallcom.2005.10.033","phases":[{"label":"hcp (A3)","model_phase":"HCP_A3"}],"pid":"doi:10.1016/j.jallcom.2005.10.033/p4/tab-1/r06#structural_property","pressure_Pa":101325,"pressure_basis":"assumed_default_1_atm_not_printed","pressure_basis_stored":"unstated_assumed","property":"LATTICE_A","property_group":"crystal structure","reader_agreement":"multi_reader","reader_agreement_label":"confirmed (two or more readers)","reader_tier":"preliminary_flash+claude","readers":["claude-opus-5.5","gemini-3.8-flash","text_layer"],"record_kind":"general_table","source_system":"CA-MG","structure":{"strukturbericht":"A3"},"system":"CA","temperature_K":2.0,"temperature_basis":"printed","temperature_printed":"2K","tool_release":"tools-release-v2.1.18","uncertainty":{"basis":"reading_resolution","value":0.0005},"uncertainty_budget":{"calibration":"orchid-uncertainty-calibration 2026-10-24 (audit round 2) sha256 6a2b5a92b0ec","quantities":{"value":{"sigma_composition":null,"sigma_conversion":null,"sigma_effective":0.03775,"sigma_method":{"basis":"prior","class":"dft","entry":"dft/priors/LATTICE_LENGTH","floor":0.01,"floor_unit":"relative (fraction of the value)","value":0.03775},"sigma_printed":null,"sigma_reading":{"basis":"last_printed_digit","value":0.0005},"sigma_scatter":null,"unit":"Å","value_type":"LATTICE_LENGTH"}},"sigma_rule":"max(sqrt(max(printed, reading, method)^2 + composition^2 + conversion^2), scatter)"},"unit":"Å","unit_stored":"Å","value":3.775,"value_stored":3.775},{"chemical_system":"CA","conditions":{"kind":"not_applicable_own_calculation"},"corrections":[{"after":{"CA":1.0},"before":{"MG":0.0},"evidence":{"paper":"doi:10.1016/j.jallcom.2005.10.033","pdf_page":4,"pdf_sha256":"029c6f101194fbf9443ede0974e6bb6328feb85bb7ada2dc3d67e5b860271110","rationale":"The page-decided composition fix requires filing the record under the elements present in its state; move to CA and apply the preserved proposed fields.","report_id":"ORCHID-Y10-20261027-v1","table_key":"t033"},"field":"overall_composition","gate":"CX20261028","rule":"source_adjudicated_independent_check","visual_check":{"checked":"2026-10-27; Codex rendered-page recheck at 200 dpi with OCR assistance; AI-assisted, not human re-review; ORCHID-Y10-20261027-v1","image_sha256":"279dd38425efe778c8a37decbee96d285e895e3ac82d4f3bc53d013c5777efdd","page":4,"pdf_sha256_prefix":"029c6f101194fbf9","seen":"Table 1: WIEN2K and VASP blocks, each with Ca and Mg sub-blocks of fcc (A1), bcc (A2), hcp (A3); columns LSDA lattice constants / total energy, GGA lattice constants / total energy, experimental lattice constants (A). No temperature printed.","verdict":"confirmed"}},{"after":"CA","before":"CA-MG","evidence":{"paper":"doi:10.1016/j.jallcom.2005.10.033","pdf_page":4,"pdf_sha256":"029c6f101194fbf9443ede0974e6bb6328feb85bb7ada2dc3d67e5b860271110","rationale":"The page-decided composition fix requires filing the record under the elements present in its state; move to CA and apply the preserved proposed fields.","report_id":"ORCHID-Y10-20261027-v1","table_key":"t033"},"field":"system","gate":"CX20261028","rule":"source_adjudicated_independent_check","visual_check":{"checked":"2026-10-27; Codex rendered-page recheck at 200 dpi with OCR assistance; AI-assisted, not human re-review; ORCHID-Y10-20261027-v1","image_sha256":"279dd38425efe778c8a37decbee96d285e895e3ac82d4f3bc53d013c5777efdd","page":4,"pdf_sha256_prefix":"029c6f101194fbf9","seen":"Table 1: WIEN2K and VASP blocks, each with Ca and Mg sub-blocks of fcc (A1), bcc (A2), hcp (A3); columns LSDA lattice constants / total energy, GGA lattice constants / total energy, experimental lattice constants (A). No temperature printed.","verdict":"confirmed"}},{"after":"CA","before":null,"evidence":{"paper":"doi:10.1016/j.jallcom.2005.10.033","pdf_page":4,"pdf_sha256":"029c6f101194fbf9443ede0974e6bb6328feb85bb7ada2dc3d67e5b860271110","rationale":"The page-decided composition fix requires filing the record under the elements present in its state; move to CA and apply the preserved proposed fields.","report_id":"ORCHID-Y10-20261027-v1","table_key":"t033"},"field":"chemical_system","gate":"CX20261028","rule":"source_adjudicated_independent_check","visual_check":{"checked":"2026-10-27; Codex rendered-page recheck at 200 dpi with OCR assistance; AI-assisted, not human re-review; ORCHID-Y10-20261027-v1","image_sha256":"279dd38425efe778c8a37decbee96d285e895e3ac82d4f3bc53d013c5777efdd","page":4,"pdf_sha256_prefix":"029c6f101194fbf9","seen":"Table 1: WIEN2K and VASP blocks, each with Ca and Mg sub-blocks of fcc (A1), bcc (A2), hcp (A3); columns LSDA lattice constants / total energy, GGA lattice constants / total energy, experimental lattice constants (A). No temperature printed.","verdict":"confirmed"}},{"after":["CA"],"before":["CA","MG"],"evidence":{"paper":"doi:10.1016/j.jallcom.2005.10.033","pdf_page":4,"pdf_sha256":"029c6f101194fbf9443ede0974e6bb6328feb85bb7ada2dc3d67e5b860271110","rationale":"The page-decided composition fix requires filing the record under the elements present in its state; move to CA and apply the preserved proposed fields.","report_id":"ORCHID-Y10-20261027-v1","table_key":"t033"},"field":"elements","gate":"CX20261028","rule":"source_adjudicated_independent_check","visual_check":{"checked":"2026-10-27; Codex rendered-page recheck at 200 dpi with OCR assistance; AI-assisted, not human re-review; ORCHID-Y10-20261027-v1","image_sha256":"279dd38425efe778c8a37decbee96d285e895e3ac82d4f3bc53d013c5777efdd","page":4,"pdf_sha256_prefix":"029c6f101194fbf9","seen":"Table 1: WIEN2K and VASP blocks, each with Ca and Mg sub-blocks of fcc (A1), bcc (A2), hcp (A3); columns LSDA lattice constants / total energy, GGA lattice constants / total energy, experimental lattice constants (A). No temperature printed.","verdict":"confirmed"}}],"evidence_class":"dft","flags":{"calphad_check":"not_available","espei_certified":false,"espei_ready":false,"extraction_accepted":true,"gate_failures":["human_review_residual_concern"],"review_state":"extracted","specification_gaps":["independent_check_correction_requires_downstream_revalidation"],"state_fully_specified":false},"fold_lpo":1,"fold_lso":0,"gate_failures":[{"code":"human_review_residual_concern","detail":"Prepared for 2026.10.1; requires exporter re-filing and full invariant tests.","effect":"not_espei_ready","gate":"CX20261028"}],"id":"ORC-NHDBXCBKX6","locator":{"ref":"doi:10.1016/j.jallcom.2005.10.033/p4/tab-1","row":14},"method":"VASP","method_basis":"printed in the table row/column","observation_type":"structural_property","origin":{"basis":"this_work+label_first_principles","class":"computed","measured_in":"doi:10.1016/j.jallcom.2005.10.033","own_work_of_paper":true},"overall_composition":{"CA":1.0},"overall_composition_basis":"from_formula","paper":"doi:10.1016/j.jallcom.2005.10.033","paper_id":"doi:10.1016/j.jallcom.2005.10.033","phases":[{"label":"fcc (A1)","model_phase":"FCC_A1"}],"pid":"doi:10.1016/j.jallcom.2005.10.033/p4/tab-1/r14#structural_property","pressure_Pa":101325,"pressure_basis":"assumed_default_1_atm_not_printed","pressure_basis_stored":"unstated_assumed","property":"LATTICE_A","property_group":"crystal structure","reader_agreement":"single_reader_text_layer","reader_agreement_label":"single reader + PDF text layer","reader_tier":"preliminary_flash+claude","readers":["gemini-3.8-flash","text_layer"],"record_kind":"general_table","source_system":"CA-MG","system":"CA","temperature_K":2.0,"temperature_basis":"printed","temperature_printed":"2K","tool_release":"tools-release-v2.1.18","uncertainty":{"basis":"reading_resolution","value":0.0005},"uncertainty_budget":{"calibration":"orchid-uncertainty-calibration 2026-10-24 (audit round 2) sha256 6a2b5a92b0ec","quantities":{"value":{"sigma_composition":null,"sigma_conversion":null,"sigma_effective":0.05344,"sigma_method":{"basis":"prior","class":"dft","entry":"dft/priors/LATTICE_LENGTH","floor":0.01,"floor_unit":"relative (fraction of the value)","value":0.05344},"sigma_printed":null,"sigma_reading":{"basis":"last_printed_digit","value":0.0005},"sigma_scatter":null,"unit":"Å","value_type":"LATTICE_LENGTH"}},"sigma_rule":"max(sqrt(max(printed, reading, method)^2 + composition^2 + conversion^2), scatter)"},"unit":"Å","unit_stored":"Å","value":5.344,"value_stored":5.344},{"chemical_system":"CA","conditions":{"kind":"not_applicable_own_calculation"},"corrections":[{"after":{"CA":1.0},"before":{"MG":0.0},"evidence":{"paper":"doi:10.1016/j.jallcom.2005.10.033","pdf_page":4,"pdf_sha256":"029c6f101194fbf9443ede0974e6bb6328feb85bb7ada2dc3d67e5b860271110","rationale":"The page-decided composition fix requires filing the record under the elements present in its state; move to CA and apply the preserved proposed fields.","report_id":"ORCHID-Y10-20261027-v1","table_key":"t033"},"field":"overall_composition","gate":"CX20261028","rule":"source_adjudicated_independent_check","visual_check":{"checked":"2026-10-27; Codex rendered-page recheck at 200 dpi with OCR assistance; AI-assisted, not human re-review; ORCHID-Y10-20261027-v1","image_sha256":"279dd38425efe778c8a37decbee96d285e895e3ac82d4f3bc53d013c5777efdd","page":4,"pdf_sha256_prefix":"029c6f101194fbf9","seen":"Table 1: WIEN2K and VASP blocks, each with Ca and Mg sub-blocks of fcc (A1), bcc (A2), hcp (A3); columns LSDA lattice constants / total energy, GGA lattice constants / total energy, experimental lattice constants (A). No temperature printed.","verdict":"confirmed"}},{"after":"CA","before":"CA-MG","evidence":{"paper":"doi:10.1016/j.jallcom.2005.10.033","pdf_page":4,"pdf_sha256":"029c6f101194fbf9443ede0974e6bb6328feb85bb7ada2dc3d67e5b860271110","rationale":"The page-decided composition fix requires filing the record under the elements present in its state; move to CA and apply the preserved proposed fields.","report_id":"ORCHID-Y10-20261027-v1","table_key":"t033"},"field":"system","gate":"CX20261028","rule":"source_adjudicated_independent_check","visual_check":{"checked":"2026-10-27; Codex rendered-page recheck at 200 dpi with OCR assistance; AI-assisted, not human re-review; ORCHID-Y10-20261027-v1","image_sha256":"279dd38425efe778c8a37decbee96d285e895e3ac82d4f3bc53d013c5777efdd","page":4,"pdf_sha256_prefix":"029c6f101194fbf9","seen":"Table 1: WIEN2K and VASP blocks, each with Ca and Mg sub-blocks of fcc (A1), bcc (A2), hcp (A3); columns LSDA lattice constants / total energy, GGA lattice constants / total energy, experimental lattice constants (A). No temperature printed.","verdict":"confirmed"}},{"after":"CA","before":null,"evidence":{"paper":"doi:10.1016/j.jallcom.2005.10.033","pdf_page":4,"pdf_sha256":"029c6f101194fbf9443ede0974e6bb6328feb85bb7ada2dc3d67e5b860271110","rationale":"The page-decided composition fix requires filing the record under the elements present in its state; move to CA and apply the preserved proposed fields.","report_id":"ORCHID-Y10-20261027-v1","table_key":"t033"},"field":"chemical_system","gate":"CX20261028","rule":"source_adjudicated_independent_check","visual_check":{"checked":"2026-10-27; Codex rendered-page recheck at 200 dpi with OCR assistance; AI-assisted, not human re-review; ORCHID-Y10-20261027-v1","image_sha256":"279dd38425efe778c8a37decbee96d285e895e3ac82d4f3bc53d013c5777efdd","page":4,"pdf_sha256_prefix":"029c6f101194fbf9","seen":"Table 1: WIEN2K and VASP blocks, each with Ca and Mg sub-blocks of fcc (A1), bcc (A2), hcp (A3); columns LSDA lattice constants / total energy, GGA lattice constants / total energy, experimental lattice constants (A). No temperature printed.","verdict":"confirmed"}},{"after":["CA"],"before":["CA","MG"],"evidence":{"paper":"doi:10.1016/j.jallcom.2005.10.033","pdf_page":4,"pdf_sha256":"029c6f101194fbf9443ede0974e6bb6328feb85bb7ada2dc3d67e5b860271110","rationale":"The page-decided composition fix requires filing the record under the elements present in its state; move to CA and apply the preserved proposed fields.","report_id":"ORCHID-Y10-20261027-v1","table_key":"t033"},"field":"elements","gate":"CX20261028","rule":"source_adjudicated_independent_check","visual_check":{"checked":"2026-10-27; Codex rendered-page recheck at 200 dpi with OCR assistance; AI-assisted, not human re-review; ORCHID-Y10-20261027-v1","image_sha256":"279dd38425efe778c8a37decbee96d285e895e3ac82d4f3bc53d013c5777efdd","page":4,"pdf_sha256_prefix":"029c6f101194fbf9","seen":"Table 1: WIEN2K and VASP blocks, each with Ca and Mg sub-blocks of fcc (A1), bcc (A2), hcp (A3); columns LSDA lattice constants / total energy, GGA lattice constants / total energy, experimental lattice constants (A). No temperature printed.","verdict":"confirmed"}}],"evidence_class":"dft","flags":{"calphad_check":"not_available","espei_certified":false,"espei_ready":false,"extraction_accepted":true,"gate_failures":["human_review_residual_concern"],"review_state":"extracted","specification_gaps":["independent_check_correction_requires_downstream_revalidation"],"state_fully_specified":false},"fold_lpo":1,"fold_lso":0,"gate_failures":[{"code":"human_review_residual_concern","detail":"Prepared for 2026.10.1; requires exporter re-filing and full invariant tests.","effect":"not_espei_ready","gate":"CX20261028"}],"id":"ORC-PF6YVSJU3R","locator":{"ref":"doi:10.1016/j.jallcom.2005.10.033/p4/tab-1","row":15},"method":"VASP","method_basis":"printed in the table row/column","observation_type":"structural_property","origin":{"basis":"this_work+label_first_principles","class":"computed","measured_in":"doi:10.1016/j.jallcom.2005.10.033","own_work_of_paper":true},"overall_composition":{"CA":1.0},"overall_composition_basis":"from_formula","paper":"doi:10.1016/j.jallcom.2005.10.033","paper_id":"doi:10.1016/j.jallcom.2005.10.033","phases":[{"label":"fcc (A1)","model_phase":"FCC_A1"}],"pid":"doi:10.1016/j.jallcom.2005.10.033/p4/tab-1/r15#structural_property","pressure_Pa":101325,"pressure_basis":"assumed_default_1_atm_not_printed","pressure_basis_stored":"unstated_assumed","property":"LATTICE_A","property_group":"crystal structure","reader_agreement":"single_reader_text_layer","reader_agreement_label":"single reader + PDF text layer","reader_tier":"preliminary_flash+claude","readers":["gemini-3.8-flash","text_layer"],"record_kind":"general_table","source_system":"CA-MG","system":"CA","temperature_K":2.0,"temperature_basis":"printed","temperature_printed":"2K","tool_release":"tools-release-v2.1.18","uncertainty":{"basis":"reading_resolution","value":0.0005},"uncertainty_budget":{"calibration":"orchid-uncertainty-calibration 2026-10-24 (audit round 2) sha256 6a2b5a92b0ec","quantities":{"value":{"sigma_composition":null,"sigma_conversion":null,"sigma_effective":0.05486,"sigma_method":{"basis":"prior","class":"dft","entry":"dft/priors/LATTICE_LENGTH","floor":0.01,"floor_unit":"relative (fraction of the value)","value":0.05486},"sigma_printed":null,"sigma_reading":{"basis":"last_printed_digit","value":0.0005},"sigma_scatter":null,"unit":"Å","value_type":"LATTICE_LENGTH"}},"sigma_rule":"max(sqrt(max(printed, reading, method)^2 + composition^2 + conversion^2), scatter)"},"unit":"Å","unit_stored":"Å","value":5.486,"value_stored":5.486},{"chemical_system":"CA","conditions":{"kind":"not_applicable_own_calculation"},"corrections":[{"after":{"CA":1.0},"before":{"MG":0.0},"evidence":{"paper":"doi:10.1016/j.jallcom.2005.10.033","pdf_page":4,"pdf_sha256":"029c6f101194fbf9443ede0974e6bb6328feb85bb7ada2dc3d67e5b860271110","rationale":"The page-decided composition fix requires filing the record under the elements present in its state; move to CA and apply the preserved proposed fields.","report_id":"ORCHID-Y10-20261027-v1","table_key":"t033"},"field":"overall_composition","gate":"CX20261028","rule":"source_adjudicated_independent_check","visual_check":{"checked":"2026-10-27; Codex rendered-page recheck at 200 dpi with OCR assistance; AI-assisted, not human re-review; ORCHID-Y10-20261027-v1","image_sha256":"279dd38425efe778c8a37decbee96d285e895e3ac82d4f3bc53d013c5777efdd","page":4,"pdf_sha256_prefix":"029c6f101194fbf9","seen":"Table 1: WIEN2K and VASP blocks, each with Ca and Mg sub-blocks of fcc (A1), bcc (A2), hcp (A3); columns LSDA lattice constants / total energy, GGA lattice constants / total energy, experimental lattice constants (A). No temperature printed.","verdict":"confirmed"}},{"after":"CA","before":"CA-MG","evidence":{"paper":"doi:10.1016/j.jallcom.2005.10.033","pdf_page":4,"pdf_sha256":"029c6f101194fbf9443ede0974e6bb6328feb85bb7ada2dc3d67e5b860271110","rationale":"The page-decided composition fix requires filing the record under the elements present in its state; move to CA and apply the preserved proposed fields.","report_id":"ORCHID-Y10-20261027-v1","table_key":"t033"},"field":"system","gate":"CX20261028","rule":"source_adjudicated_independent_check","visual_check":{"checked":"2026-10-27; Codex rendered-page recheck at 200 dpi with OCR assistance; AI-assisted, not human re-review; ORCHID-Y10-20261027-v1","image_sha256":"279dd38425efe778c8a37decbee96d285e895e3ac82d4f3bc53d013c5777efdd","page":4,"pdf_sha256_prefix":"029c6f101194fbf9","seen":"Table 1: WIEN2K and VASP blocks, each with Ca and Mg sub-blocks of fcc (A1), bcc (A2), hcp (A3); columns LSDA lattice constants / total energy, GGA lattice constants / total energy, experimental lattice constants (A). No temperature printed.","verdict":"confirmed"}},{"after":"CA","before":null,"evidence":{"paper":"doi:10.1016/j.jallcom.2005.10.033","pdf_page":4,"pdf_sha256":"029c6f101194fbf9443ede0974e6bb6328feb85bb7ada2dc3d67e5b860271110","rationale":"The page-decided composition fix requires filing the record under the elements present in its state; move to CA and apply the preserved proposed fields.","report_id":"ORCHID-Y10-20261027-v1","table_key":"t033"},"field":"chemical_system","gate":"CX20261028","rule":"source_adjudicated_independent_check","visual_check":{"checked":"2026-10-27; Codex rendered-page recheck at 200 dpi with OCR assistance; AI-assisted, not human re-review; ORCHID-Y10-20261027-v1","image_sha256":"279dd38425efe778c8a37decbee96d285e895e3ac82d4f3bc53d013c5777efdd","page":4,"pdf_sha256_prefix":"029c6f101194fbf9","seen":"Table 1: WIEN2K and VASP blocks, each with Ca and Mg sub-blocks of fcc (A1), bcc (A2), hcp (A3); columns LSDA lattice constants / total energy, GGA lattice constants / total energy, experimental lattice constants (A). No temperature printed.","verdict":"confirmed"}},{"after":["CA"],"before":["CA","MG"],"evidence":{"paper":"doi:10.1016/j.jallcom.2005.10.033","pdf_page":4,"pdf_sha256":"029c6f101194fbf9443ede0974e6bb6328feb85bb7ada2dc3d67e5b860271110","rationale":"The page-decided composition fix requires filing the record under the elements present in its state; move to CA and apply the preserved proposed fields.","report_id":"ORCHID-Y10-20261027-v1","table_key":"t033"},"field":"elements","gate":"CX20261028","rule":"source_adjudicated_independent_check","visual_check":{"checked":"2026-10-27; Codex rendered-page recheck at 200 dpi with OCR assistance; AI-assisted, not human re-review; ORCHID-Y10-20261027-v1","image_sha256":"279dd38425efe778c8a37decbee96d285e895e3ac82d4f3bc53d013c5777efdd","page":4,"pdf_sha256_prefix":"029c6f101194fbf9","seen":"Table 1: WIEN2K and VASP blocks, each with Ca and Mg sub-blocks of fcc (A1), bcc (A2), hcp (A3); columns LSDA lattice constants / total energy, GGA lattice constants / total energy, experimental lattice constants (A). No temperature printed.","verdict":"confirmed"}}],"evidence_class":"dft","flags":{"calphad_check":"not_available","espei_certified":false,"espei_ready":false,"extraction_accepted":true,"gate_failures":["human_review_residual_concern"],"review_state":"extracted","specification_gaps":["independent_check_correction_requires_downstream_revalidation"],"state_fully_specified":false},"fold_lpo":1,"fold_lso":0,"gate_failures":[{"code":"human_review_residual_concern","detail":"Prepared for 2026.10.1; requires exporter re-filing and full invariant tests.","effect":"not_espei_ready","gate":"CX20261028"}],"id":"ORC-OUJTAKRIDP","locator":{"ref":"doi:10.1016/j.jallcom.2005.10.033/p4/tab-1","row":17},"method":"VASP","method_basis":"printed in the table row/column","observation_type":"structural_property","origin":{"basis":"this_work+label_first_principles","class":"computed","measured_in":"doi:10.1016/j.jallcom.2005.10.033","own_work_of_paper":true},"overall_composition":{"CA":1.0},"overall_composition_basis":"from_formula","paper":"doi:10.1016/j.jallcom.2005.10.033","paper_id":"doi:10.1016/j.jallcom.2005.10.033","phases":[{"label":"bcc (A2)","model_phase":"BCC_A2"}],"pid":"doi:10.1016/j.jallcom.2005.10.033/p4/tab-1/r17#structural_property","pressure_Pa":101325,"pressure_basis":"assumed_default_1_atm_not_printed","pressure_basis_stored":"unstated_assumed","property":"LATTICE_A","property_group":"crystal structure","reader_agreement":"single_reader_text_layer","reader_agreement_label":"single reader + PDF text layer","reader_tier":"preliminary_flash+claude","readers":["gemini-3.8-flash","text_layer"],"record_kind":"general_table","source_system":"CA-MG","system":"CA","temperature_K":2.0,"temperature_basis":"printed","temperature_printed":"2K","tool_release":"tools-release-v2.1.18","uncertainty":{"basis":"reading_resolution","value":0.0005},"uncertainty_budget":{"calibration":"orchid-uncertainty-calibration 2026-10-24 (audit round 2) sha256 6a2b5a92b0ec","quantities":{"value":{"sigma_composition":null,"sigma_conversion":null,"sigma_effective":0.04218,"sigma_method":{"basis":"prior","class":"dft","entry":"dft/priors/LATTICE_LENGTH","floor":0.01,"floor_unit":"relative (fraction of the value)","value":0.04218},"sigma_printed":null,"sigma_reading":{"basis":"last_printed_digit","value":0.0005},"sigma_scatter":null,"unit":"Å","value_type":"LATTICE_LENGTH"}},"sigma_rule":"max(sqrt(max(printed, reading, method)^2 + composition^2 + conversion^2), scatter)"},"unit":"Å","unit_stored":"Å","value":4.218,"value_stored":4.218},{"chemical_system":"CA","conditions":{"kind":"not_applicable_own_calculation"},"corrections":[{"after":{"CA":1.0},"before":{"MG":0.0},"evidence":{"paper":"doi:10.1016/j.jallcom.2005.10.033","pdf_page":4,"pdf_sha256":"029c6f101194fbf9443ede0974e6bb6328feb85bb7ada2dc3d67e5b860271110","rationale":"The page-decided composition fix requires filing the record under the elements present in its state; move to CA and apply the preserved proposed fields.","report_id":"ORCHID-Y10-20261027-v1","table_key":"t033"},"field":"overall_composition","gate":"CX20261028","rule":"source_adjudicated_independent_check","visual_check":{"checked":"2026-10-27; Codex rendered-page recheck at 200 dpi with OCR assistance; AI-assisted, not human re-review; ORCHID-Y10-20261027-v1","image_sha256":"279dd38425efe778c8a37decbee96d285e895e3ac82d4f3bc53d013c5777efdd","page":4,"pdf_sha256_prefix":"029c6f101194fbf9","seen":"Table 1: WIEN2K and VASP blocks, each with Ca and Mg sub-blocks of fcc (A1), bcc (A2), hcp (A3); columns LSDA lattice constants / total energy, GGA lattice constants / total energy, experimental lattice constants (A). No temperature printed.","verdict":"confirmed"}},{"after":"CA","before":"CA-MG","evidence":{"paper":"doi:10.1016/j.jallcom.2005.10.033","pdf_page":4,"pdf_sha256":"029c6f101194fbf9443ede0974e6bb6328feb85bb7ada2dc3d67e5b860271110","rationale":"The page-decided composition fix requires filing the record under the elements present in its state; move to CA and apply the preserved proposed fields.","report_id":"ORCHID-Y10-20261027-v1","table_key":"t033"},"field":"system","gate":"CX20261028","rule":"source_adjudicated_independent_check","visual_check":{"checked":"2026-10-27; Codex rendered-page recheck at 200 dpi with OCR assistance; AI-assisted, not human re-review; ORCHID-Y10-20261027-v1","image_sha256":"279dd38425efe778c8a37decbee96d285e895e3ac82d4f3bc53d013c5777efdd","page":4,"pdf_sha256_prefix":"029c6f101194fbf9","seen":"Table 1: WIEN2K and VASP blocks, each with Ca and Mg sub-blocks of fcc (A1), bcc (A2), hcp (A3); columns LSDA lattice constants / total energy, GGA lattice constants / total energy, experimental lattice constants (A). No temperature printed.","verdict":"confirmed"}},{"after":"CA","before":null,"evidence":{"paper":"doi:10.1016/j.jallcom.2005.10.033","pdf_page":4,"pdf_sha256":"029c6f101194fbf9443ede0974e6bb6328feb85bb7ada2dc3d67e5b860271110","rationale":"The page-decided composition fix requires filing the record under the elements present in its state; move to CA and apply the preserved proposed fields.","report_id":"ORCHID-Y10-20261027-v1","table_key":"t033"},"field":"chemical_system","gate":"CX20261028","rule":"source_adjudicated_independent_check","visual_check":{"checked":"2026-10-27; Codex rendered-page recheck at 200 dpi with OCR assistance; AI-assisted, not human re-review; ORCHID-Y10-20261027-v1","image_sha256":"279dd38425efe778c8a37decbee96d285e895e3ac82d4f3bc53d013c5777efdd","page":4,"pdf_sha256_prefix":"029c6f101194fbf9","seen":"Table 1: WIEN2K and VASP blocks, each with Ca and Mg sub-blocks of fcc (A1), bcc (A2), hcp (A3); columns LSDA lattice constants / total energy, GGA lattice constants / total energy, experimental lattice constants (A). No temperature printed.","verdict":"confirmed"}},{"after":["CA"],"before":["CA","MG"],"evidence":{"paper":"doi:10.1016/j.jallcom.2005.10.033","pdf_page":4,"pdf_sha256":"029c6f101194fbf9443ede0974e6bb6328feb85bb7ada2dc3d67e5b860271110","rationale":"The page-decided composition fix requires filing the record under the elements present in its state; move to CA and apply the preserved proposed fields.","report_id":"ORCHID-Y10-20261027-v1","table_key":"t033"},"field":"elements","gate":"CX20261028","rule":"source_adjudicated_independent_check","visual_check":{"checked":"2026-10-27; Codex rendered-page recheck at 200 dpi with OCR assistance; AI-assisted, not human re-review; ORCHID-Y10-20261027-v1","image_sha256":"279dd38425efe778c8a37decbee96d285e895e3ac82d4f3bc53d013c5777efdd","page":4,"pdf_sha256_prefix":"029c6f101194fbf9","seen":"Table 1: WIEN2K and VASP blocks, each with Ca and Mg sub-blocks of fcc (A1), bcc (A2), hcp (A3); columns LSDA lattice constants / total energy, GGA lattice constants / total energy, experimental lattice constants (A). No temperature printed.","verdict":"confirmed"}}],"evidence_class":"dft","flags":{"calphad_check":"not_available","espei_certified":false,"espei_ready":false,"extraction_accepted":true,"gate_failures":["human_review_residual_concern"],"review_state":"extracted","specification_gaps":["independent_check_correction_requires_downstream_revalidation"],"state_fully_specified":false},"fold_lpo":1,"fold_lso":0,"gate_failures":[{"code":"human_review_residual_concern","detail":"Prepared for 2026.10.1; requires exporter re-filing and full invariant tests.","effect":"not_espei_ready","gate":"CX20261028"}],"id":"ORC-67SGNAPXPC","locator":{"ref":"doi:10.1016/j.jallcom.2005.10.033/p4/tab-1","row":18},"method":"VASP","method_basis":"printed in the table row/column","observation_type":"structural_property","origin":{"basis":"this_work+label_first_principles","class":"computed","measured_in":"doi:10.1016/j.jallcom.2005.10.033","own_work_of_paper":true},"overall_composition":{"CA":1.0},"overall_composition_basis":"from_formula","paper":"doi:10.1016/j.jallcom.2005.10.033","paper_id":"doi:10.1016/j.jallcom.2005.10.033","phases":[{"label":"bcc (A2)","model_phase":"BCC_A2"}],"pid":"doi:10.1016/j.jallcom.2005.10.033/p4/tab-1/r18#structural_property","pressure_Pa":101325,"pressure_basis":"assumed_default_1_atm_not_printed","pressure_basis_stored":"unstated_assumed","property":"LATTICE_A","property_group":"crystal structure","reader_agreement":"single_reader_text_layer","reader_agreement_label":"single reader + PDF text layer","reader_tier":"preliminary_flash+claude","readers":["gemini-3.8-flash","text_layer"],"record_kind":"general_table","source_system":"CA-MG","system":"CA","temperature_K":2.0,"temperature_basis":"printed","temperature_printed":"2K","tool_release":"tools-release-v2.1.18","uncertainty":{"basis":"reading_resolution","value":0.0005},"uncertainty_budget":{"calibration":"orchid-uncertainty-calibration 2026-10-24 (audit round 2) sha256 6a2b5a92b0ec","quantities":{"value":{"sigma_composition":null,"sigma_conversion":null,"sigma_effective":0.04345,"sigma_method":{"basis":"prior","class":"dft","entry":"dft/priors/LATTICE_LENGTH","floor":0.01,"floor_unit":"relative (fraction of the value)","value":0.04345},"sigma_printed":null,"sigma_reading":{"basis":"last_printed_digit","value":0.0005},"sigma_scatter":null,"unit":"Å","value_type":"LATTICE_LENGTH"}},"sigma_rule":"max(sqrt(max(printed, reading, method)^2 + composition^2 + conversion^2), scatter)"},"unit":"Å","unit_stored":"Å","value":4.345,"value_stored":4.345},{"chemical_system":"CA","conditions":{"kind":"not_applicable_own_calculation"},"corrections":[{"after":{"CA":1.0},"before":{"MG":0.0},"evidence":{"paper":"doi:10.1016/j.jallcom.2005.10.033","pdf_page":4,"pdf_sha256":"029c6f101194fbf9443ede0974e6bb6328feb85bb7ada2dc3d67e5b860271110","rationale":"The page-decided composition fix requires filing the record under the elements present in its state; move to CA and apply the preserved proposed fields.","report_id":"ORCHID-Y10-20261027-v1","table_key":"t033"},"field":"overall_composition","gate":"CX20261028","rule":"source_adjudicated_independent_check","visual_check":{"checked":"2026-10-27; Codex rendered-page recheck at 200 dpi with OCR assistance; AI-assisted, not human re-review; ORCHID-Y10-20261027-v1","image_sha256":"279dd38425efe778c8a37decbee96d285e895e3ac82d4f3bc53d013c5777efdd","page":4,"pdf_sha256_prefix":"029c6f101194fbf9","seen":"Table 1: WIEN2K and VASP blocks, each with Ca and Mg sub-blocks of fcc (A1), bcc (A2), hcp (A3); columns LSDA lattice constants / total energy, GGA lattice constants / total energy, experimental lattice constants (A). No temperature printed.","verdict":"confirmed"}},{"after":"CA","before":"CA-MG","evidence":{"paper":"doi:10.1016/j.jallcom.2005.10.033","pdf_page":4,"pdf_sha256":"029c6f101194fbf9443ede0974e6bb6328feb85bb7ada2dc3d67e5b860271110","rationale":"The page-decided composition fix requires filing the record under the elements present in its state; move to CA and apply the preserved proposed fields.","report_id":"ORCHID-Y10-20261027-v1","table_key":"t033"},"field":"system","gate":"CX20261028","rule":"source_adjudicated_independent_check","visual_check":{"checked":"2026-10-27; Codex rendered-page recheck at 200 dpi with OCR assistance; AI-assisted, not human re-review; ORCHID-Y10-20261027-v1","image_sha256":"279dd38425efe778c8a37decbee96d285e895e3ac82d4f3bc53d013c5777efdd","page":4,"pdf_sha256_prefix":"029c6f101194fbf9","seen":"Table 1: WIEN2K and VASP blocks, each with Ca and Mg sub-blocks of fcc (A1), bcc (A2), hcp (A3); columns LSDA lattice constants / total energy, GGA lattice constants / total energy, experimental lattice constants (A). No temperature printed.","verdict":"confirmed"}},{"after":"CA","before":null,"evidence":{"paper":"doi:10.1016/j.jallcom.2005.10.033","pdf_page":4,"pdf_sha256":"029c6f101194fbf9443ede0974e6bb6328feb85bb7ada2dc3d67e5b860271110","rationale":"The page-decided composition fix requires filing the record under the elements present in its state; move to CA and apply the preserved proposed fields.","report_id":"ORCHID-Y10-20261027-v1","table_key":"t033"},"field":"chemical_system","gate":"CX20261028","rule":"source_adjudicated_independent_check","visual_check":{"checked":"2026-10-27; Codex rendered-page recheck at 200 dpi with OCR assistance; AI-assisted, not human re-review; ORCHID-Y10-20261027-v1","image_sha256":"279dd38425efe778c8a37decbee96d285e895e3ac82d4f3bc53d013c5777efdd","page":4,"pdf_sha256_prefix":"029c6f101194fbf9","seen":"Table 1: WIEN2K and VASP blocks, each with Ca and Mg sub-blocks of fcc (A1), bcc (A2), hcp (A3); columns LSDA lattice constants / total energy, GGA lattice constants / total energy, experimental lattice constants (A). No temperature printed.","verdict":"confirmed"}},{"after":["CA"],"before":["CA","MG"],"evidence":{"paper":"doi:10.1016/j.jallcom.2005.10.033","pdf_page":4,"pdf_sha256":"029c6f101194fbf9443ede0974e6bb6328feb85bb7ada2dc3d67e5b860271110","rationale":"The page-decided composition fix requires filing the record under the elements present in its state; move to CA and apply the preserved proposed fields.","report_id":"ORCHID-Y10-20261027-v1","table_key":"t033"},"field":"elements","gate":"CX20261028","rule":"source_adjudicated_independent_check","visual_check":{"checked":"2026-10-27; Codex rendered-page recheck at 200 dpi with OCR assistance; AI-assisted, not human re-review; ORCHID-Y10-20261027-v1","image_sha256":"279dd38425efe778c8a37decbee96d285e895e3ac82d4f3bc53d013c5777efdd","page":4,"pdf_sha256_prefix":"029c6f101194fbf9","seen":"Table 1: WIEN2K and VASP blocks, each with Ca and Mg sub-blocks of fcc (A1), bcc (A2), hcp (A3); columns LSDA lattice constants / total energy, GGA lattice constants / total energy, experimental lattice constants (A). No temperature printed.","verdict":"confirmed"}}],"evidence_class":"dft","flags":{"calphad_check":"not_available","espei_certified":false,"espei_ready":false,"extraction_accepted":true,"gate_failures":["human_review_residual_concern"],"review_state":"extracted","specification_gaps":["independent_check_correction_requires_downstream_revalidation"],"state_fully_specified":false},"fold_lpo":1,"fold_lso":0,"gate_failures":[{"code":"human_review_residual_concern","detail":"Prepared for 2026.10.1; requires exporter re-filing and full invariant tests.","effect":"not_espei_ready","gate":"CX20261028"}],"id":"ORC-Y3GPNMTSSO.9007ad","locator":{"ref":"doi:10.1016/j.jallcom.2005.10.033/p4/tab-1","row":20},"method":"VASP","method_basis":"printed in the table row/column","observation_type":"structural_property","origin":{"basis":"this_work+label_first_principles","class":"computed","measured_in":"doi:10.1016/j.jallcom.2005.10.033","own_work_of_paper":true},"overall_composition":{"CA":1.0},"overall_composition_basis":"from_formula","paper":"doi:10.1016/j.jallcom.2005.10.033","paper_id":"doi:10.1016/j.jallcom.2005.10.033","phases":[{"label":"hcp (A3)","model_phase":"HCP_A3"}],"pid":"doi:10.1016/j.jallcom.2005.10.033/p4/tab-1/r20#structural_property","pressure_Pa":101325,"pressure_basis":"assumed_default_1_atm_not_printed","pressure_basis_stored":"unstated_assumed","property":"LATTICE_A","property_group":"crystal structure","reader_agreement":"multi_reader","reader_agreement_label":"confirmed (two or more readers)","reader_tier":"preliminary_flash+claude","readers":["claude-opus-5.5","gemini-3.8-flash","text_layer"],"record_kind":"general_table","source_system":"CA-MG","structure":{"strukturbericht":"A3"},"system":"CA","temperature_K":2.0,"temperature_basis":"printed","temperature_printed":"2K","tool_release":"tools-release-v2.1.18","uncertainty":{"basis":"reading_resolution","value":0.0005},"uncertainty_budget":{"calibration":"orchid-uncertainty-calibration 2026-10-24 (audit round 2) sha256 6a2b5a92b0ec","quantities":{"value":{"sigma_composition":null,"sigma_conversion":null,"sigma_effective":0.03764,"sigma_method":{"basis":"prior","class":"dft","entry":"dft/priors/LATTICE_LENGTH","floor":0.01,"floor_unit":"relative (fraction of the value)","value":0.03764},"sigma_printed":null,"sigma_reading":{"basis":"last_printed_digit","value":0.0005},"sigma_scatter":null,"unit":"Å","value_type":"LATTICE_LENGTH"}},"sigma_rule":"max(sqrt(max(printed, reading, method)^2 + composition^2 + conversion^2), scatter)"},"unit":"Å","unit_stored":"Å","value":3.764,"value_stored":3.764},{"chemical_system":"CA","conditions":{"kind":"not_applicable_own_calculation"},"corrections":[{"after":{"CA":1.0},"before":{"MG":0.0},"evidence":{"paper":"doi:10.1016/j.jallcom.2005.10.033","pdf_page":4,"pdf_sha256":"029c6f101194fbf9443ede0974e6bb6328feb85bb7ada2dc3d67e5b860271110","rationale":"The page-decided composition fix requires filing the record under the elements present in its state; move to CA and apply the preserved proposed fields.","report_id":"ORCHID-Y10-20261027-v1","table_key":"t033"},"field":"overall_composition","gate":"CX20261028","rule":"source_adjudicated_independent_check","visual_check":{"checked":"2026-10-27; Codex rendered-page recheck at 200 dpi with OCR assistance; AI-assisted, not human re-review; ORCHID-Y10-20261027-v1","image_sha256":"279dd38425efe778c8a37decbee96d285e895e3ac82d4f3bc53d013c5777efdd","page":4,"pdf_sha256_prefix":"029c6f101194fbf9","seen":"Table 1: WIEN2K and VASP blocks, each with Ca and Mg sub-blocks of fcc (A1), bcc (A2), hcp (A3); columns LSDA lattice constants / total energy, GGA lattice constants / total energy, experimental lattice constants (A). No temperature printed.","verdict":"confirmed"}},{"after":"CA","before":"CA-MG","evidence":{"paper":"doi:10.1016/j.jallcom.2005.10.033","pdf_page":4,"pdf_sha256":"029c6f101194fbf9443ede0974e6bb6328feb85bb7ada2dc3d67e5b860271110","rationale":"The page-decided composition fix requires filing the record under the elements present in its state; move to CA and apply the preserved proposed fields.","report_id":"ORCHID-Y10-20261027-v1","table_key":"t033"},"field":"system","gate":"CX20261028","rule":"source_adjudicated_independent_check","visual_check":{"checked":"2026-10-27; Codex rendered-page recheck at 200 dpi with OCR assistance; AI-assisted, not human re-review; ORCHID-Y10-20261027-v1","image_sha256":"279dd38425efe778c8a37decbee96d285e895e3ac82d4f3bc53d013c5777efdd","page":4,"pdf_sha256_prefix":"029c6f101194fbf9","seen":"Table 1: WIEN2K and VASP blocks, each with Ca and Mg sub-blocks of fcc (A1), bcc (A2), hcp (A3); columns LSDA lattice constants / total energy, GGA lattice constants / total energy, experimental lattice constants (A). No temperature printed.","verdict":"confirmed"}},{"after":"CA","before":null,"evidence":{"paper":"doi:10.1016/j.jallcom.2005.10.033","pdf_page":4,"pdf_sha256":"029c6f101194fbf9443ede0974e6bb6328feb85bb7ada2dc3d67e5b860271110","rationale":"The page-decided composition fix requires filing the record under the elements present in its state; move to CA and apply the preserved proposed fields.","report_id":"ORCHID-Y10-20261027-v1","table_key":"t033"},"field":"chemical_system","gate":"CX20261028","rule":"source_adjudicated_independent_check","visual_check":{"checked":"2026-10-27; Codex rendered-page recheck at 200 dpi with OCR assistance; AI-assisted, not human re-review; ORCHID-Y10-20261027-v1","image_sha256":"279dd38425efe778c8a37decbee96d285e895e3ac82d4f3bc53d013c5777efdd","page":4,"pdf_sha256_prefix":"029c6f101194fbf9","seen":"Table 1: WIEN2K and VASP blocks, each with Ca and Mg sub-blocks of fcc (A1), bcc (A2), hcp (A3); columns LSDA lattice constants / total energy, GGA lattice constants / total energy, experimental lattice constants (A). No temperature printed.","verdict":"confirmed"}},{"after":["CA"],"before":["CA","MG"],"evidence":{"paper":"doi:10.1016/j.jallcom.2005.10.033","pdf_page":4,"pdf_sha256":"029c6f101194fbf9443ede0974e6bb6328feb85bb7ada2dc3d67e5b860271110","rationale":"The page-decided composition fix requires filing the record under the elements present in its state; move to CA and apply the preserved proposed fields.","report_id":"ORCHID-Y10-20261027-v1","table_key":"t033"},"field":"elements","gate":"CX20261028","rule":"source_adjudicated_independent_check","visual_check":{"checked":"2026-10-27; Codex rendered-page recheck at 200 dpi with OCR assistance; AI-assisted, not human re-review; ORCHID-Y10-20261027-v1","image_sha256":"279dd38425efe778c8a37decbee96d285e895e3ac82d4f3bc53d013c5777efdd","page":4,"pdf_sha256_prefix":"029c6f101194fbf9","seen":"Table 1: WIEN2K and VASP blocks, each with Ca and Mg sub-blocks of fcc (A1), bcc (A2), hcp (A3); columns LSDA lattice constants / total energy, GGA lattice constants / total energy, experimental lattice constants (A). No temperature printed.","verdict":"confirmed"}}],"evidence_class":"dft","flags":{"calphad_check":"not_available","espei_certified":false,"espei_ready":false,"extraction_accepted":true,"gate_failures":["human_review_residual_concern"],"review_state":"extracted","specification_gaps":["independent_check_correction_requires_downstream_revalidation"],"state_fully_specified":false},"fold_lpo":1,"fold_lso":0,"gate_failures":[{"code":"human_review_residual_concern","detail":"Prepared for 2026.10.1; requires exporter re-filing and full invariant tests.","effect":"not_espei_ready","gate":"CX20261028"}],"id":"ORC-Y3GPNMTSSO.e0ad6f","locator":{"ref":"doi:10.1016/j.jallcom.2005.10.033/p4/tab-1","row":20},"method":"VASP","method_basis":"printed in the table row/column","observation_type":"structural_property","origin":{"basis":"this_work+label_first_principles","class":"computed","measured_in":"doi:10.1016/j.jallcom.2005.10.033","own_work_of_paper":true},"overall_composition":{"CA":1.0},"overall_composition_basis":"from_formula","paper":"doi:10.1016/j.jallcom.2005.10.033","paper_id":"doi:10.1016/j.jallcom.2005.10.033","phases":[{"label":"hcp (A3)","model_phase":"HCP_A3"}],"pid":"doi:10.1016/j.jallcom.2005.10.033/p4/tab-1/r20#structural_property","pressure_Pa":101325,"pressure_basis":"assumed_default_1_atm_not_printed","pressure_basis_stored":"unstated_assumed","property":"LATTICE_C","property_group":"crystal structure","reader_agreement":"multi_reader","reader_agreement_label":"confirmed (two or more readers)","reader_tier":"preliminary_flash+claude","readers":["claude-opus-5.5","gemini-3.8-flash","text_layer"],"record_kind":"general_table","source_system":"CA-MG","structure":{"strukturbericht":"A3"},"system":"CA","temperature_K":2.0,"temperature_basis":"printed","temperature_printed":"2K","tool_release":"tools-release-v2.1.18","uncertainty":{"basis":"reading_resolution","value":0.0005},"uncertainty_budget":{"calibration":"orchid-uncertainty-calibration 2026-10-24 (audit round 2) sha256 6a2b5a92b0ec","quantities":{"value":{"sigma_composition":null,"sigma_conversion":null,"sigma_effective":0.06263,"sigma_method":{"basis":"prior","class":"dft","entry":"dft/priors/LATTICE_LENGTH","floor":0.01,"floor_unit":"relative (fraction of the value)","value":0.06263},"sigma_printed":null,"sigma_reading":{"basis":"last_printed_digit","value":0.0005},"sigma_scatter":null,"unit":"Å","value_type":"LATTICE_LENGTH"}},"sigma_rule":"max(sqrt(max(printed, reading, method)^2 + composition^2 + conversion^2), scatter)"},"unit":"Å","unit_stored":"Å","value":6.263,"value_stored":6.263},{"chemical_system":"CA","conditions":{"kind":"not_applicable_own_calculation"},"corrections":[{"after":{"CA":1.0},"before":{"MG":0.0},"evidence":{"paper":"doi:10.1016/j.jallcom.2005.10.033","pdf_page":4,"pdf_sha256":"029c6f101194fbf9443ede0974e6bb6328feb85bb7ada2dc3d67e5b860271110","rationale":"The page-decided composition fix requires filing the record under the elements present in its state; move to CA and apply the preserved proposed fields.","report_id":"ORCHID-Y10-20261027-v1","table_key":"t033"},"field":"overall_composition","gate":"CX20261028","rule":"source_adjudicated_independent_check","visual_check":{"checked":"2026-10-27; Codex rendered-page recheck at 200 dpi with OCR assistance; AI-assisted, not human re-review; ORCHID-Y10-20261027-v1","image_sha256":"279dd38425efe778c8a37decbee96d285e895e3ac82d4f3bc53d013c5777efdd","page":4,"pdf_sha256_prefix":"029c6f101194fbf9","seen":"Table 1: WIEN2K and VASP blocks, each with Ca and Mg sub-blocks of fcc (A1), bcc (A2), hcp (A3); columns LSDA lattice constants / total energy, GGA lattice constants / total energy, experimental lattice constants (A). No temperature printed.","verdict":"confirmed"}},{"after":"CA","before":"CA-MG","evidence":{"paper":"doi:10.1016/j.jallcom.2005.10.033","pdf_page":4,"pdf_sha256":"029c6f101194fbf9443ede0974e6bb6328feb85bb7ada2dc3d67e5b860271110","rationale":"The page-decided composition fix requires filing the record under the elements present in its state; move to CA and apply the preserved proposed fields.","report_id":"ORCHID-Y10-20261027-v1","table_key":"t033"},"field":"system","gate":"CX20261028","rule":"source_adjudicated_independent_check","visual_check":{"checked":"2026-10-27; Codex rendered-page recheck at 200 dpi with OCR assistance; AI-assisted, not human re-review; ORCHID-Y10-20261027-v1","image_sha256":"279dd38425efe778c8a37decbee96d285e895e3ac82d4f3bc53d013c5777efdd","page":4,"pdf_sha256_prefix":"029c6f101194fbf9","seen":"Table 1: WIEN2K and VASP blocks, each with Ca and Mg sub-blocks of fcc (A1), bcc (A2), hcp (A3); columns LSDA lattice constants / total energy, GGA lattice constants / total energy, experimental lattice constants (A). No temperature printed.","verdict":"confirmed"}},{"after":"CA","before":null,"evidence":{"paper":"doi:10.1016/j.jallcom.2005.10.033","pdf_page":4,"pdf_sha256":"029c6f101194fbf9443ede0974e6bb6328feb85bb7ada2dc3d67e5b860271110","rationale":"The page-decided composition fix requires filing the record under the elements present in its state; move to CA and apply the preserved proposed fields.","report_id":"ORCHID-Y10-20261027-v1","table_key":"t033"},"field":"chemical_system","gate":"CX20261028","rule":"source_adjudicated_independent_check","visual_check":{"checked":"2026-10-27; Codex rendered-page recheck at 200 dpi with OCR assistance; AI-assisted, not human re-review; ORCHID-Y10-20261027-v1","image_sha256":"279dd38425efe778c8a37decbee96d285e895e3ac82d4f3bc53d013c5777efdd","page":4,"pdf_sha256_prefix":"029c6f101194fbf9","seen":"Table 1: WIEN2K and VASP blocks, each with Ca and Mg sub-blocks of fcc (A1), bcc (A2), hcp (A3); columns LSDA lattice constants / total energy, GGA lattice constants / total energy, experimental lattice constants (A). No temperature printed.","verdict":"confirmed"}},{"after":["CA"],"before":["CA","MG"],"evidence":{"paper":"doi:10.1016/j.jallcom.2005.10.033","pdf_page":4,"pdf_sha256":"029c6f101194fbf9443ede0974e6bb6328feb85bb7ada2dc3d67e5b860271110","rationale":"The page-decided composition fix requires filing the record under the elements present in its state; move to CA and apply the preserved proposed fields.","report_id":"ORCHID-Y10-20261027-v1","table_key":"t033"},"field":"elements","gate":"CX20261028","rule":"source_adjudicated_independent_check","visual_check":{"checked":"2026-10-27; Codex rendered-page recheck at 200 dpi with OCR assistance; AI-assisted, not human re-review; ORCHID-Y10-20261027-v1","image_sha256":"279dd38425efe778c8a37decbee96d285e895e3ac82d4f3bc53d013c5777efdd","page":4,"pdf_sha256_prefix":"029c6f101194fbf9","seen":"Table 1: WIEN2K and VASP blocks, each with Ca and Mg sub-blocks of fcc (A1), bcc (A2), hcp (A3); columns LSDA lattice constants / total energy, GGA lattice constants / total energy, experimental lattice constants (A). No temperature printed.","verdict":"confirmed"}}],"evidence_class":"dft","flags":{"calphad_check":"not_available","espei_certified":false,"espei_ready":false,"extraction_accepted":true,"gate_failures":["human_review_residual_concern"],"review_state":"extracted","specification_gaps":["independent_check_correction_requires_downstream_revalidation"],"state_fully_specified":false},"fold_lpo":1,"fold_lso":0,"gate_failures":[{"code":"human_review_residual_concern","detail":"Prepared for 2026.10.1; requires exporter re-filing and full invariant tests.","effect":"not_espei_ready","gate":"CX20261028"}],"id":"ORC-FPEZO3OFRK.4ee815","locator":{"ref":"doi:10.1016/j.jallcom.2005.10.033/p4/tab-1","row":21},"method":"VASP","method_basis":"printed in the table row/column","observation_type":"structural_property","origin":{"basis":"this_work+label_first_principles","class":"computed","measured_in":"doi:10.1016/j.jallcom.2005.10.033","own_work_of_paper":true},"overall_composition":{"CA":1.0},"overall_composition_basis":"from_formula","paper":"doi:10.1016/j.jallcom.2005.10.033","paper_id":"doi:10.1016/j.jallcom.2005.10.033","phases":[{"label":"hcp (A3)","model_phase":"HCP_A3"}],"pid":"doi:10.1016/j.jallcom.2005.10.033/p4/tab-1/r21#structural_property","pressure_Pa":101325,"pressure_basis":"assumed_default_1_atm_not_printed","pressure_basis_stored":"unstated_assumed","property":"LATTICE_A","property_group":"crystal structure","reader_agreement":"multi_reader","reader_agreement_label":"confirmed (two or more readers)","reader_tier":"preliminary_flash+claude","readers":["claude-opus-5.5","gemini-3.8-flash","text_layer"],"record_kind":"general_table","source_system":"CA-MG","structure":{"strukturbericht":"A3"},"system":"CA","temperature_K":2.0,"temperature_basis":"printed","temperature_printed":"2K","tool_release":"tools-release-v2.1.18","uncertainty":{"basis":"reading_resolution","value":0.0005},"uncertainty_budget":{"calibration":"orchid-uncertainty-calibration 2026-10-24 (audit round 2) sha256 6a2b5a92b0ec","quantities":{"value":{"sigma_composition":null,"sigma_conversion":null,"sigma_effective":0.03862,"sigma_method":{"basis":"prior","class":"dft","entry":"dft/priors/LATTICE_LENGTH","floor":0.01,"floor_unit":"relative (fraction of the value)","value":0.03862},"sigma_printed":null,"sigma_reading":{"basis":"last_printed_digit","value":0.0005},"sigma_scatter":null,"unit":"Å","value_type":"LATTICE_LENGTH"}},"sigma_rule":"max(sqrt(max(printed, reading, method)^2 + composition^2 + conversion^2), scatter)"},"unit":"Å","unit_stored":"Å","value":3.862,"value_stored":3.862},{"chemical_system":"CA","conditions":{"kind":"not_applicable_own_calculation"},"corrections":[{"after":{"CA":1.0},"before":{"MG":0.0},"evidence":{"paper":"doi:10.1016/j.jallcom.2005.10.033","pdf_page":4,"pdf_sha256":"029c6f101194fbf9443ede0974e6bb6328feb85bb7ada2dc3d67e5b860271110","rationale":"The page-decided composition fix requires filing the record under the elements present in its state; move to CA and apply the preserved proposed fields.","report_id":"ORCHID-Y10-20261027-v1","table_key":"t033"},"field":"overall_composition","gate":"CX20261028","rule":"source_adjudicated_independent_check","visual_check":{"checked":"2026-10-27; Codex rendered-page recheck at 200 dpi with OCR assistance; AI-assisted, not human re-review; ORCHID-Y10-20261027-v1","image_sha256":"279dd38425efe778c8a37decbee96d285e895e3ac82d4f3bc53d013c5777efdd","page":4,"pdf_sha256_prefix":"029c6f101194fbf9","seen":"Table 1: WIEN2K and VASP blocks, each with Ca and Mg sub-blocks of fcc (A1), bcc (A2), hcp (A3); columns LSDA lattice constants / total energy, GGA lattice constants / total energy, experimental lattice constants (A). No temperature printed.","verdict":"confirmed"}},{"after":"CA","before":"CA-MG","evidence":{"paper":"doi:10.1016/j.jallcom.2005.10.033","pdf_page":4,"pdf_sha256":"029c6f101194fbf9443ede0974e6bb6328feb85bb7ada2dc3d67e5b860271110","rationale":"The page-decided composition fix requires filing the record under the elements present in its state; move to CA and apply the preserved proposed fields.","report_id":"ORCHID-Y10-20261027-v1","table_key":"t033"},"field":"system","gate":"CX20261028","rule":"source_adjudicated_independent_check","visual_check":{"checked":"2026-10-27; Codex rendered-page recheck at 200 dpi with OCR assistance; AI-assisted, not human re-review; ORCHID-Y10-20261027-v1","image_sha256":"279dd38425efe778c8a37decbee96d285e895e3ac82d4f3bc53d013c5777efdd","page":4,"pdf_sha256_prefix":"029c6f101194fbf9","seen":"Table 1: WIEN2K and VASP blocks, each with Ca and Mg sub-blocks of fcc (A1), bcc (A2), hcp (A3); columns LSDA lattice constants / total energy, GGA lattice constants / total energy, experimental lattice constants (A). No temperature printed.","verdict":"confirmed"}},{"after":"CA","before":null,"evidence":{"paper":"doi:10.1016/j.jallcom.2005.10.033","pdf_page":4,"pdf_sha256":"029c6f101194fbf9443ede0974e6bb6328feb85bb7ada2dc3d67e5b860271110","rationale":"The page-decided composition fix requires filing the record under the elements present in its state; move to CA and apply the preserved proposed fields.","report_id":"ORCHID-Y10-20261027-v1","table_key":"t033"},"field":"chemical_system","gate":"CX20261028","rule":"source_adjudicated_independent_check","visual_check":{"checked":"2026-10-27; Codex rendered-page recheck at 200 dpi with OCR assistance; AI-assisted, not human re-review; ORCHID-Y10-20261027-v1","image_sha256":"279dd38425efe778c8a37decbee96d285e895e3ac82d4f3bc53d013c5777efdd","page":4,"pdf_sha256_prefix":"029c6f101194fbf9","seen":"Table 1: WIEN2K and VASP blocks, each with Ca and Mg sub-blocks of fcc (A1), bcc (A2), hcp (A3); columns LSDA lattice constants / total energy, GGA lattice constants / total energy, experimental lattice constants (A). No temperature printed.","verdict":"confirmed"}},{"after":["CA"],"before":["CA","MG"],"evidence":{"paper":"doi:10.1016/j.jallcom.2005.10.033","pdf_page":4,"pdf_sha256":"029c6f101194fbf9443ede0974e6bb6328feb85bb7ada2dc3d67e5b860271110","rationale":"The page-decided composition fix requires filing the record under the elements present in its state; move to CA and apply the preserved proposed fields.","report_id":"ORCHID-Y10-20261027-v1","table_key":"t033"},"field":"elements","gate":"CX20261028","rule":"source_adjudicated_independent_check","visual_check":{"checked":"2026-10-27; Codex rendered-page recheck at 200 dpi with OCR assistance; AI-assisted, not human re-review; ORCHID-Y10-20261027-v1","image_sha256":"279dd38425efe778c8a37decbee96d285e895e3ac82d4f3bc53d013c5777efdd","page":4,"pdf_sha256_prefix":"029c6f101194fbf9","seen":"Table 1: WIEN2K and VASP blocks, each with Ca and Mg sub-blocks of fcc (A1), bcc (A2), hcp (A3); columns LSDA lattice constants / total energy, GGA lattice constants / total energy, experimental lattice constants (A). No temperature printed.","verdict":"confirmed"}}],"evidence_class":"dft","flags":{"calphad_check":"not_available","espei_certified":false,"espei_ready":false,"extraction_accepted":true,"gate_failures":["human_review_residual_concern"],"review_state":"extracted","specification_gaps":["independent_check_correction_requires_downstream_revalidation"],"state_fully_specified":false},"fold_lpo":1,"fold_lso":0,"gate_failures":[{"code":"human_review_residual_concern","detail":"Prepared for 2026.10.1; requires exporter re-filing and full invariant tests.","effect":"not_espei_ready","gate":"CX20261028"}],"id":"ORC-FPEZO3OFRK.f34c18","locator":{"ref":"doi:10.1016/j.jallcom.2005.10.033/p4/tab-1","row":21},"method":"VASP","method_basis":"printed in the table row/column","observation_type":"structural_property","origin":{"basis":"this_work+label_first_principles","class":"computed","measured_in":"doi:10.1016/j.jallcom.2005.10.033","own_work_of_paper":true},"overall_composition":{"CA":1.0},"overall_composition_basis":"from_formula","paper":"doi:10.1016/j.jallcom.2005.10.033","paper_id":"doi:10.1016/j.jallcom.2005.10.033","phases":[{"label":"hcp (A3)","model_phase":"HCP_A3"}],"pid":"doi:10.1016/j.jallcom.2005.10.033/p4/tab-1/r21#structural_property","pressure_Pa":101325,"pressure_basis":"assumed_default_1_atm_not_printed","pressure_basis_stored":"unstated_assumed","property":"LATTICE_C","property_group":"crystal structure","reader_agreement":"multi_reader","reader_agreement_label":"confirmed (two or more readers)","reader_tier":"preliminary_flash+claude","readers":["claude-opus-5.5","gemini-3.8-flash","text_layer"],"record_kind":"general_table","source_system":"CA-MG","structure":{"strukturbericht":"A3"},"system":"CA","temperature_K":2.0,"temperature_basis":"printed","temperature_printed":"2K","tool_release":"tools-release-v2.1.18","uncertainty":{"basis":"reading_resolution","value":0.0005},"uncertainty_budget":{"calibration":"orchid-uncertainty-calibration 2026-10-24 (audit round 2) sha256 6a2b5a92b0ec","quantities":{"value":{"sigma_composition":null,"sigma_conversion":null,"sigma_effective":0.06411,"sigma_method":{"basis":"prior","class":"dft","entry":"dft/priors/LATTICE_LENGTH","floor":0.01,"floor_unit":"relative (fraction of the value)","value":0.06411},"sigma_printed":null,"sigma_reading":{"basis":"last_printed_digit","value":0.0005},"sigma_scatter":null,"unit":"Å","value_type":"LATTICE_LENGTH"}},"sigma_rule":"max(sqrt(max(printed, reading, method)^2 + composition^2 + conversion^2), scatter)"},"unit":"Å","unit_stored":"Å","value":6.411,"value_stored":6.411},{"chemical_system":"CA","conditions":{"kind":"not_applicable_own_calculation"},"corrections":[{"after":"CA","before":"CA-CE","evidence":{"basis":"phase_formula","overall_composition":{"CE":0.0},"phases":["Ca"]},"field":"system","gate":"A1","rule":"system_of_the_state"},{"after":"ORC-YNXT2G6ACN.56d59c","before":null,"evidence":{"class":"temperature","decision":"table read twice: same row, same column, same value; kept the 'bcc' record (phase named by the caption 'Enthalpies of mixing of bcc solutions'; row label is the composition/variant, not a phase; kept one has composition where alias has none)","decision_file":"temperature_t169.json","doi":"10.1016/j.jallcom.2007.09.020","kept_id":"ORC-YNXT2G6ACN.56d59c","pdf_page":2,"pdf_sha256":"1e58c4d8d78ac46ac35594a642c1d09a54b63a996de19ec3550878799c75cd7d","printed":"","rationale":"Same printed cell as ORC-YNXT2G6ACN.56d59c; not an independent observation.","report_id":"ORCHID-TD-20261028-v1","table":"1","table_key":"t169"},"field":"duplicate_of","gate":"TD20261028","rule":"source_adjudicated_table_defect","visual_check":{"checked":"2026-10-28; Claude (Studio sub-agent readers) rendered-page check, AI-assisted, not human re-review; ORCHID-TD-20261028-v1","image_sha256":"fa5f27cef192cb98866fd67ff0a3d8ce0dc1334d666bf0d4d1fc27a8af5355e8","page":2,"pdf_sha256_prefix":"1e58c4d8d78ac46a","seen":"Ca | Calculated lattice parameter 4.40","verdict":"confirmed"}}],"duplicate_of":"ORC-YNXT2G6ACN.56d59c","evidence_class":"dft","flags":{"calphad_check":"not_available","espei_certified":false,"espei_ready":false,"extraction_accepted":true,"gate_failures":["phase_label_readings_disagree","duplicate_source_row","human_review_residual_concern"],"review_state":"extracted","specification_gaps":["table_defect_correction_requires_downstream_revalidation"],"state_fully_specified":false,"system_is_state_subsystem":true},"fold_lpo":0,"fold_lso":0,"gate_failures":[{"code":"phase_label_readings_disagree","detail":"the same printed value is also stored with phase(s) bcc","effect":"not_espei_ready","gate":"G7"},{"code":"duplicate_source_row","detail":"table read twice: same row, same column, same value; kept the 'bcc' record (phase named by the caption 'Enthalpies of mixing of bcc solutions'; row label is the composition/variant, not a phase; kept one has composition where alias has none","effect":"not_espei_ready","gate":"page","visual_check":{"checked":"2026-10-28; Claude (Studio sub-agent readers) rendered-page check, AI-assisted, not human re-review; ORCHID-TD-20261028-v1 (temperature, t169)","image_sha256":"fa5f27cef192cb98866fd67ff0a3d8ce0dc1334d666bf0d4d1fc27a8af5355e8","page":2,"pdf_sha256_prefix":"1e58c4d8d78ac46a","seen":"Ca | Calculated lattice parameter 4.40","verdict":"confirmed"}},{"code":"human_review_residual_concern","detail":"Duplicate of ORC-YNXT2G6ACN.56d59c (same printed cell); not independent evidence: exclude from fitting, counts and calibration.","effect":"not_espei_ready","gate":"TD20261028"}],"id":"ORC-YNXT2G6ACN.a5f6fd","locator":{"ref":"doi:10.1016/j.jallcom.2007.09.020/p2/tab-1","row":1},"method":"SQS/DFT (GGA-PW91)","method_basis":"printed in the table row/column","observation_type":"structural_property","origin":{"basis":"this_work+label_first_principles","class":"computed","measured_in":"doi:10.1016/j.jallcom.2007.09.020","own_work_of_paper":true},"overall_composition":{},"overall_composition_basis":"from_formula","overall_composition_stored":{"CE":0.0},"paper":"doi:10.1016/j.jallcom.2007.09.020","paper_id":"doi:10.1016/j.jallcom.2007.09.020","phases":[{"label":"Ca"}],"pid":"doi:10.1016/j.jallcom.2007.09.020/p2/tab-1/r01#structural_property","pressure_Pa":101325,"pressure_basis":"assumed_default_1_atm_not_printed","pressure_basis_stored":"unstated_assumed","property":"LATTICE_UNSPECIFIED_AXIS","property_group":"crystal structure","property_printed":"Lattice parameter","reader_agreement":"multi_reader","reader_agreement_label":"confirmed (two or more readers)","reader_tier":"confirmed_pro","readers":["claude-opus-5.5","gemini-3.1-pro-preview","text_layer"],"record_kind":"general_table","source_system":"CA-CE","system":"CA","temperature_K":0.0,"temperature_basis":"quantity_label","temperature_printed":"0 K (static calculation)","tool_release":"tools-release-v2.1.18","uncertainty":{"basis":"stated_default","note":"5% default","value":0.22},"uncertainty_budget":{"calibration":"orchid-uncertainty-calibration 2026-10-24 (audit round 2) sha256 6a2b5a92b0ec","quantities":{"value":{"sigma_composition":null,"sigma_conversion":null,"sigma_effective":0.05,"sigma_method":{"basis":"prior","class":"dft","entry":"dft/priors/LATTICE_LENGTH","floor":0.01,"floor_unit":"relative (fraction of the value)","value":0.044},"sigma_printed":null,"sigma_reading":{"basis":"last_printed_digit","value":0.05},"sigma_scatter":null,"unit":"Å","value_type":"LATTICE_LENGTH"}},"sigma_rule":"max(sqrt(max(printed, reading, method)^2 + composition^2 + conversion^2), scatter)"},"unit":"Å","unit_printed":"Å","unit_stored":"Å","value":4.4,"value_printed":4.4,"value_stored":4.4},{"chemical_system":"CA","cited_sources":[{"first_author":"Lide","kind":"unknown","label":"16","reference":"D.R. Lide, CRC Handbook of Chemistry and Physics, 83rd ed., CRC Press LLC, Boca Raton, FL, 2002.","status":"resolved","year":"2002"}],"conditions":{"kind":"cited_source","note":"conditions in the cited source"},"corrections":[{"after":"CA","before":"CA-CE","evidence":{"basis":"phase_formula","overall_composition":{"CE":0.0},"phases":["Ca"]},"field":"system","gate":"A1","rule":"system_of_the_state"},{"after":"ORC-VY23HMPA22.cbb807","before":null,"evidence":{"class":"temperature","decision":"table read twice: same row, same column, same value; kept the 'bcc' record (phase named by the caption 'Enthalpies of mixing of bcc solutions'; row label is the composition/variant, not a phase; kept one has composition where alias has none)","decision_file":"temperature_t169.json","doi":"10.1016/j.jallcom.2007.09.020","kept_id":"ORC-VY23HMPA22.cbb807","pdf_page":2,"pdf_sha256":"1e58c4d8d78ac46ac35594a642c1d09a54b63a996de19ec3550878799c75cd7d","printed":"","rationale":"Same printed cell as ORC-VY23HMPA22.cbb807; not an independent observation.","report_id":"ORCHID-TD-20261028-v1","table":"1","table_key":"t169"},"field":"duplicate_of","gate":"TD20261028","rule":"source_adjudicated_table_defect","visual_check":{"checked":"2026-10-28; Claude (Studio sub-agent readers) rendered-page check, AI-assisted, not human re-review; ORCHID-TD-20261028-v1","image_sha256":"fa5f27cef192cb98866fd67ff0a3d8ce0dc1334d666bf0d4d1fc27a8af5355e8","page":2,"pdf_sha256_prefix":"1e58c4d8d78ac46a","seen":"Ca | Lattice parameter 4.50 [16]","verdict":"confirmed"}}],"duplicate_of":"ORC-VY23HMPA22.cbb807","evidence_class":"experimental","flags":{"calphad_check":"not_available","espei_certified":false,"espei_ready":false,"extraction_accepted":true,"gate_failures":["phase_label_readings_disagree","duplicate_source_row","human_review_residual_concern"],"review_state":"extracted","specification_gaps":["state:T_K_explicit","temperature not stated","table_defect_correction_requires_downstream_revalidation"],"state_fully_specified":false,"system_is_state_subsystem":true},"fold_lpo":0,"fold_lso":0,"gate_failures":[{"code":"phase_label_readings_disagree","detail":"the same printed value is also stored with phase(s) bcc","effect":"not_espei_ready","gate":"G7"},{"code":"duplicate_source_row","detail":"table read twice: same row, same column, same value; kept the 'bcc' record (phase named by the caption 'Enthalpies of mixing of bcc solutions'; row label is the composition/variant, not a phase; kept one has composition where alias has none","effect":"not_espei_ready","gate":"page","visual_check":{"checked":"2026-10-28; Claude (Studio sub-agent readers) rendered-page check, AI-assisted, not human re-review; ORCHID-TD-20261028-v1 (temperature, t169)","image_sha256":"fa5f27cef192cb98866fd67ff0a3d8ce0dc1334d666bf0d4d1fc27a8af5355e8","page":2,"pdf_sha256_prefix":"1e58c4d8d78ac46a","seen":"Ca | Lattice parameter 4.50 [16]","verdict":"confirmed"}},{"code":"human_review_residual_concern","detail":"Duplicate of ORC-VY23HMPA22.cbb807 (same printed cell); not independent evidence: exclude from fitting, counts and calibration.","effect":"not_espei_ready","gate":"TD20261028"}],"id":"ORC-VY23HMPA22.7cdfae","locator":{"ref":"doi:10.1016/j.jallcom.2007.09.020/p2/tab-1","row":2},"observation_type":"structural_property","origin":{"basis":"printed_source_experimental","class":"experimental","own_work_of_paper":false},"overall_composition":{},"overall_composition_basis":"from_formula","overall_composition_stored":{"CE":0.0},"paper":"doi:10.1016/j.jallcom.2007.09.020","paper_id":"doi:10.1016/j.jallcom.2007.09.020","phases":[{"label":"Ca"}],"pid":"doi:10.1016/j.jallcom.2007.09.020/p2/tab-1/r02#structural_property","pressure_Pa":101325,"pressure_basis":"assumed_default_1_atm_not_printed","pressure_basis_stored":"unstated_assumed","property":"LATTICE_UNSPECIFIED_AXIS","property_group":"crystal structure","property_printed":"Lattice parameter","reader_agreement":"multi_reader","reader_agreement_label":"confirmed (two or more readers)","reader_tier":"confirmed_pro","readers":["claude-opus-5.5","gemini-3.1-pro-preview","text_layer"],"record_kind":"general_table","source_system":"CA-CE","system":"CA","temperature_basis":"not_printed","tool_release":"tools-release-v2.1.18","uncertainty":{"basis":"stated_default","note":"5% default","value":0.225},"uncertainty_budget":{"calibration":"orchid-uncertainty-calibration 2026-10-24 (audit round 2) sha256 6a2b5a92b0ec","quantities":{"value":{"sigma_composition":null,"sigma_conversion":null,"sigma_effective":0.05,"sigma_method":{"basis":"calibrated","ci95":[0.001793,0.002549],"class":"unknown","entry":"value_types/LATTICE_LENGTH/classes/unknown","floor":0.0022,"floor_unit":"relative (fraction of the value)","n_pairs":586,"value":0.0099},"sigma_printed":null,"sigma_reading":{"basis":"last_printed_digit","value":0.05},"sigma_scatter":null,"unit":"Å","value_type":"LATTICE_LENGTH"}},"sigma_rule":"max(sqrt(max(printed, reading, method)^2 + composition^2 + conversion^2), scatter)"},"unit":"Å","unit_printed":"Å","unit_stored":"Å","value":4.5,"value_printed":4.5,"value_stored":4.5},{"chemical_system":"CA","cited_sources":[{"kind":"unknown","label":"2","status":"unresolved"}],"conditions":{"kind":"cited_source","note":"conditions in the cited source"},"corrections":[{"after":"CA","before":"BA-CA-SR-V","evidence":{"basis":"phase_formula","overall_composition":null,"phases":["fcc (αCa)"]},"field":"system","gate":"A1","rule":"system_of_the_state"}],"evidence_class":"unspecified","flags":{"calphad_check":"not_available","espei_certified":false,"espei_ready":false,"extraction_accepted":true,"review_state":"extracted","system_is_state_subsystem":true,"system_mismatch":true},"fold_lpo":1,"fold_lso":0,"id":"ORC-W4XOSVRQS3","locator":{"ref":"sha256:89187a5b0c5f0dd3/p2/tab-i","row":1},"observation_type":"structural_property","origin":{"basis":"no_printed_or_resolvable_source_kind","class":"unspecified","own_work_of_paper":false},"paper":"doi:10.1007/bf02881868","paper_id":"doi:10.1007/bf02881868","phase_compositions":[{"basis":"mole_fraction","composition":{},"composition_source":"printed","composition_stored":{"V":0.0},"phase":"fcc (αCa)"}],"phases":[{"label":"fcc (αCa)"}],"pid":"sha256:89187a5b0c5f0dd3/p2/tab-i/r01#structural_property","pressure_Pa":101325,"pressure_basis":"assumed_default_1_atm_not_printed","pressure_basis_stored":"unstated_assumed","property":"LATTICE_A","property_group":"crystal structure","reader_agreement":"multi_reader","reader_agreement_label":"confirmed (two or more readers)","reader_tier":"preliminary_flash+claude","readers":["claude-opus-5.5","gemini-3.8-flash","text_layer"],"record_kind":"general_table","source_system":"BA-CA-SR-V","structure":{"pearson_symbol":"cF4","prototype":"Cu","strukturbericht":"A1"},"system":"CA","temperature_K":221.5,"temperature_basis":"printed_range","temperature_range_K":{"max":443.0,"min":0.0},"temperature_uncertainty":{"basis":"printed_range","value":221.5},"tool_release":"tools-release-v2.1.18","uncertainty":{"basis":"reading_resolution","value":5e-05},"uncertainty_budget":{"calibration":"orchid-uncertainty-calibration 2026-10-24 (audit round 2) sha256 6a2b5a92b0ec","quantities":{"value":{"sigma_composition":null,"sigma_conversion":null,"sigma_effective":0.01229,"sigma_method":{"basis":"calibrated","ci95":[0.001793,0.002549],"class":"unknown","entry":"value_types/LATTICE_LENGTH/classes/unknown","floor":0.0022,"floor_unit":"relative (fraction of the value)","n_pairs":586,"value":0.01229},"sigma_printed":null,"sigma_reading":{"basis":"last_printed_digit","value":5e-05},"sigma_scatter":null,"unit":"Å","value_type":"LATTICE_LENGTH"}},"sigma_rule":"max(sqrt(max(printed, reading, method)^2 + composition^2 + conversion^2), scatter)"},"unit":"Å","unit_stored":"nm","value":5.5884,"value_stored":0.55884},{"chemical_system":"CA","cited_sources":[{"kind":"unknown","label":"2","status":"unresolved"}],"conditions":{"kind":"cited_source","note":"conditions in the cited source"},"corrections":[{"after":"CA","before":"BA-CA-SR-V","evidence":{"basis":"phase_formula","overall_composition":null,"phases":["bcc (βCa)"]},"field":"system","gate":"A1","rule":"system_of_the_state"}],"evidence_class":"unspecified","flags":{"calphad_check":"not_available","espei_certified":false,"espei_ready":false,"extraction_accepted":true,"review_state":"extracted","system_is_state_subsystem":true,"system_mismatch":true},"fold_lpo":1,"fold_lso":0,"id":"ORC-O7NLFBDPSS","locator":{"ref":"sha256:89187a5b0c5f0dd3/p2/tab-i","row":2},"observation_type":"structural_property","origin":{"basis":"no_printed_or_resolvable_source_kind","class":"unspecified","own_work_of_paper":false},"paper":"doi:10.1007/bf02881868","paper_id":"doi:10.1007/bf02881868","phase_compositions":[{"basis":"mole_fraction","composition":{},"composition_source":"printed","composition_stored":{"V":0.0},"phase":"bcc (βCa)"}],"phases":[{"label":"bcc (βCa)"}],"pid":"sha256:89187a5b0c5f0dd3/p2/tab-i/r02#structural_property","pressure_Pa":101325,"pressure_basis":"assumed_default_1_atm_not_printed","pressure_basis_stored":"unstated_assumed","property":"LATTICE_A","property_group":"crystal structure","reader_agreement":"multi_reader","reader_agreement_label":"confirmed (two or more readers)","reader_tier":"preliminary_flash+claude","readers":["claude-opus-5.5","gemini-3.8-flash","text_layer"],"record_kind":"general_table","source_system":"BA-CA-SR-V","structure":{"pearson_symbol":"cI2","prototype":"W","strukturbericht":"A2"},"system":"CA","temperature_K":642.5,"temperature_basis":"printed_range","temperature_range_K":{"max":842.0,"min":443.0},"temperature_uncertainty":{"basis":"printed_range","value":199.5},"tool_release":"tools-release-v2.1.18","uncertainty":{"basis":"reading_resolution","value":0.005},"uncertainty_budget":{"calibration":"orchid-uncertainty-calibration 2026-10-24 (audit round 2) sha256 6a2b5a92b0ec","quantities":{"value":{"sigma_composition":null,"sigma_conversion":null,"sigma_effective":0.009856,"sigma_method":{"basis":"calibrated","ci95":[0.001793,0.002549],"class":"unknown","entry":"value_types/LATTICE_LENGTH/classes/unknown","floor":0.0022,"floor_unit":"relative (fraction of the value)","n_pairs":586,"value":0.009856},"sigma_printed":null,"sigma_reading":{"basis":"last_printed_digit","value":0.005},"sigma_scatter":null,"unit":"Å","value_type":"LATTICE_LENGTH"}},"sigma_rule":"max(sqrt(max(printed, reading, method)^2 + composition^2 + conversion^2), scatter)"},"unit":"Å","unit_stored":"nm","value":4.48,"value_stored":0.448},{"chemical_system":"CA","conditions":{"kind":"own_work_origin_unspecified"},"corrections":[{"after":"CA","before":"CA-MG-SR","evidence":{"basis":"phase_formula","overall_composition":{"MG":0.0,"SR":0.0},"phases":["fcc-Ca"]},"field":"system","gate":"A1","rule":"system_of_the_state"}],"evidence_class":"unspecified","flags":{"calphad_check":"not_available","espei_certified":false,"espei_ready":false,"extraction_accepted":true,"review_state":"extracted","specification_gaps":["reference-dependent quantity without a resolved reference state","state:reference_state"],"state_fully_specified":false,"system_is_state_subsystem":true},"fold_lpo":3,"fold_lso":0,"id":"ORC-EL47KI3BKF.a48b69","locator":{"ref":"sha256:a7cbade1719f2946/p4/tab-2","row":22},"merged_ids":["ORC-EL47KI3BKF.fe55f3"],"observation_type":"equilibrium_property","origin":{"basis":"this_work_kind_unstated","class":"unspecified","measured_in":"doi:10.1016/j.jallcom.2005.09.076","own_work_of_paper":true},"overall_composition":{},"overall_composition_basis":"from_formula","overall_composition_stored":{"MG":0.0,"SR":0.0},"paper":"doi:10.1016/j.jallcom.2005.09.076","paper_id":"doi:10.1016/j.jallcom.2005.09.076","phases":[{"label":"fcc-Ca"}],"pid":"sha256:a7cbade1719f2946/p4/tab-2/r22#equilibrium_property","pressure_Pa":101325,"pressure_basis":"assumed_default_1_atm_not_printed","pressure_basis_stored":"unstated_assumed","property":"HM_FORM","property_group":"formation","property_printed":"Enthalpy of formation","reader_agreement":"multi_reader","reader_agreement_label":"confirmed (two or more readers)","reader_tier":"preliminary_flash+claude","readers":["claude-opus-5.5","gemini-3.8-flash","text_layer"],"record_kind":"general_table","reference_state":{"CA":{"phase":"printed:none"}},"reference_state_stored":{"CA":{"phase":"printed:none"},"MG":{"phase":"printed:none"},"SR":{"phase":"printed:none"}},"source_system":"CA-MG-SR","system":"CA","temperature_K":0.0,"temperature_basis":"printed","temperature_printed":"0 K","tool_release":"tools-release-v2.1.18","uncertainty":{"basis":"stated_default","note":"5% default","value":1e-09},"uncertainty_budget":{"calibration":"orchid-uncertainty-calibration 2026-10-24 (audit round 2) sha256 6a2b5a92b0ec","quantities":{"value":{"sigma_composition":null,"sigma_conversion":null,"sigma_effective":3.5,"sigma_method":{"basis":"calibrated","ci95":[2.41122,4.298262],"class":"unknown","entry":"value_types/HM_FORM/classes/unknown","floor":3.5,"floor_unit":"kJ/mol-atom","n_pairs":290,"value":3.5},"sigma_printed":null,"sigma_reading":{"basis":"last_printed_digit","value":0.5},"sigma_scatter":null,"unit":"kJ/mol-atom","value_type":"HM_FORM"}},"sigma_rule":"max(sqrt(max(printed, reading, method)^2 + composition^2 + conversion^2), scatter)"},"unit":"kJ/mol-atom","unit_basis":"printed_unit","unit_printed":"kJ/mol of atom","unit_stored":"J/mol-atom","value":0.0,"value_printed":0,"value_stored":0.0},{"chemical_system":"CA","conditions":{"kind":"own_work_origin_unspecified"},"corrections":[{"after":"CA","before":"CA-MG-SR","evidence":{"basis":"phase_formula","overall_composition":{"MG":0.0,"SR":0.0},"phases":["fcc-Ca"]},"field":"system","gate":"A1","rule":"system_of_the_state"}],"evidence_class":"unspecified","flags":{"calphad_check":"not_available","espei_certified":false,"espei_ready":false,"extraction_accepted":true,"review_state":"extracted","system_is_state_subsystem":true},"fold_lpo":3,"fold_lso":0,"id":"ORC-CRPEQOGZOL.85cef9","locator":{"ref":"sha256:a7cbade1719f2946/p4/tab-2","row":22},"merged_ids":["ORC-CRPEQOGZOL.da9800"],"observation_type":"structural_property","origin":{"basis":"this_work_kind_unstated","class":"unspecified","measured_in":"doi:10.1016/j.jallcom.2005.09.076","own_work_of_paper":true},"overall_composition":{},"overall_composition_basis":"from_formula","overall_composition_stored":{"MG":0.0,"SR":0.0},"paper":"doi:10.1016/j.jallcom.2005.09.076","paper_id":"doi:10.1016/j.jallcom.2005.09.076","phases":[{"label":"fcc-Ca"}],"pid":"sha256:a7cbade1719f2946/p4/tab-2/r22#structural_property","pressure_Pa":101325,"pressure_basis":"assumed_default_1_atm_not_printed","pressure_basis_stored":"unstated_assumed","property":"LATTICE_A","property_group":"crystal structure","property_printed":"a","reader_agreement":"multi_reader","reader_agreement_label":"confirmed (two or more readers)","reader_tier":"preliminary_flash+claude","readers":["claude-opus-5.5","gemini-3.8-flash","text_layer"],"record_kind":"general_table","source_system":"CA-MG-SR","system":"CA","temperature_K":0.0,"temperature_basis":"printed","temperature_printed":"0 K","tool_release":"tools-release-v2.1.18","uncertainty":{"basis":"stated_default","note":"5% default","value":0.2743},"uncertainty_budget":{"calibration":"orchid-uncertainty-calibration 2026-10-24 (audit round 2) sha256 6a2b5a92b0ec","quantities":{"value":{"sigma_composition":null,"sigma_conversion":null,"sigma_effective":0.01207,"sigma_method":{"basis":"calibrated","ci95":[0.001793,0.002549],"class":"unknown","entry":"value_types/LATTICE_LENGTH/classes/unknown","floor":0.0022,"floor_unit":"relative (fraction of the value)","n_pairs":586,"value":0.01207},"sigma_printed":null,"sigma_reading":{"basis":"last_printed_digit","value":0.0005},"sigma_scatter":null,"unit":"Å","value_type":"LATTICE_LENGTH"}},"sigma_rule":"max(sqrt(max(printed, reading, method)^2 + composition^2 + conversion^2), scatter)"},"unit":"Å","unit_printed":"Å","unit_stored":"Å","value":5.486,"value_printed":5.486,"value_stored":5.486},{"chemical_system":"CA","cited_sources":[{"first_author":"Bruzzone","kind":"unknown","label":"11","reference":"G. Bruzzone, Boll. Sci. Fac. Chim. Ind. Bologna 24 (1966) 113–132.","status":"resolved","year":"1966"}],"conditions":{"kind":"cited_source","note":"conditions in the cited source"},"corrections":[{"after":"CA","before":"B-BA-CA-GA-SR","evidence":{"basis":"overall_composition_all_elements","overall_composition":{"BA":0.0,"CA":1.0,"GA":0.0,"SR":0.0},"phases":["UNKNOWN"]},"field":"system","gate":"A1","rule":"system_of_the_state"},{"after":[{"label":"(αCa)","label_source":"printed_source_page","pearson_symbol":"cF4","prototype":"Cu","structure_basis":"printed_source_page"}],"before":[{"label":"UNKNOWN"}],"evidence":{"batch":"table_context_batch_01","doi":"10.1016/j.calphad.2013.09.002","pdf_page":2,"pdf_sha256":"cb38fae1d94c72fa4ac095429ad984aa4e1696c34e80e9c6aeff30c89653af2c","printed":"(αCa) | Cu | cF4 | Fm-3m | 0.5582 [11] / 0.5570 F.P.","rationale":"Printed table context for this group supplies phase, pearson_symbol, prototype, space_group; shared fields only, row values, references, uncertainty, composition and conditions unchanged; no forward fill across groups and no inference from symmetry, composition or other papers.","report_id":"ORCHID-TC-20261027-v1","source_group_rows":[4,5],"table":"1","table_key":"t014"},"field":"phases","gate":"TC20261027","rule":"source_adjudicated_table_context","visual_check":{"checked":"2026-10-27; Claude rendered-page inspection, table-context batch 01","image_sha256":"4a99cc431d0fd02fdff13b1d9e17501addd1e6db8b82b6fef6c06210926adb3f","page":2,"pdf_sha256_prefix":"cb38fae1d94c72fa","seen":"first row prints phase/prototype/Pearson/space group; F.P. continuation row inherits","verdict":"confirmed"}},{"after":{"pearson_symbol":"cF4","phase":"(αCa)","prototype":"Cu","space_group":"Fm-3m"},"before":null,"evidence":{"batch":"table_context_batch_01","doi":"10.1016/j.calphad.2013.09.002","pdf_page":2,"pdf_sha256":"cb38fae1d94c72fa4ac095429ad984aa4e1696c34e80e9c6aeff30c89653af2c","printed":"(αCa) | Cu | cF4 | Fm-3m | 0.5582 [11] / 0.5570 F.P.","rationale":"Printed table context for this group supplies phase, pearson_symbol, prototype, space_group; shared fields only, row values, references, uncertainty, composition and conditions unchanged; no forward fill across groups and no inference from symmetry, composition or other papers.","report_id":"ORCHID-TC-20261027-v1","source_group_rows":[4,5],"table":"1","table_key":"t014"},"field":"structure","gate":"TC20261027","rule":"source_adjudicated_table_context","visual_check":{"checked":"2026-10-27; Claude rendered-page inspection, table-context batch 01","image_sha256":"4a99cc431d0fd02fdff13b1d9e17501addd1e6db8b82b6fef6c06210926adb3f","page":2,"pdf_sha256_prefix":"cb38fae1d94c72fa","seen":"first row prints phase/prototype/Pearson/space group; F.P. continuation row inherits","verdict":"confirmed"}}],"evidence_class":"experimental","flags":{"calphad_check":"not_available","espei_certified":false,"espei_ready":false,"extraction_accepted":true,"review_state":"extracted","specification_gaps":["table_context_correction_requires_downstream_revalidation"],"state_fully_specified":false,"system_is_state_subsystem":true},"fold_lpo":2,"fold_lso":0,"id":"ORC-AUNQAHH2CN","locator":{"ref":"sha256:cb38fae1d94c72fa/p2/tab-1","row":4},"observation_type":"structural_property","origin":{"basis":"cited_work_before_1980_assumed_experimental","class":"experimental","measured_in":"ref:529c7666cdc21a2e","own_work_of_paper":false},"overall_composition":{"CA":1.0},"overall_composition_basis":"from_formula","overall_composition_stored":{"BA":0.0,"CA":1.0,"GA":0.0,"SR":0.0},"paper":"doi:10.1016/j.calphad.2013.09.002","paper_id":"doi:10.1016/j.calphad.2013.09.002","phases":[{"label":"(αCa)","label_source":"printed_source_page","pearson_symbol":"cF4","prototype":"Cu","structure_basis":"printed_source_page"}],"pid":"sha256:cb38fae1d94c72fa/p2/tab-1/r04#structural_property","pressure_Pa":101325,"pressure_basis":"assumed_default_1_atm_not_printed","pressure_basis_stored":"unstated_assumed","property":"LATTICE_A","property_group":"crystal structure","reader_agreement":"single_reader_text_layer","reader_agreement_label":"single reader + PDF text layer","reader_tier":"confirmed_pro","readers":["claude-opus-5.5","text_layer"],"record_kind":"general_table","source_system":"B-BA-CA-GA-SR","structure":{"pearson_symbol":"cF4","phase":"(αCa)","prototype":"Cu","space_group":"Fm-3m"},"system":"CA","temperature_K":298.15,"temperature_basis":"assumed_room_temperature","tool_release":"tools-release-v2.1.18","uncertainty":{"basis":"reading_resolution","value":0.0005},"uncertainty_budget":{"calibration":"orchid-uncertainty-calibration 2026-10-24 (audit round 2) sha256 6a2b5a92b0ec","quantities":{"value":{"sigma_composition":null,"sigma_conversion":null,"sigma_effective":0.01228,"sigma_method":{"basis":"calibrated","ci95":[0.001793,0.002549],"class":"unknown","entry":"value_types/LATTICE_LENGTH/classes/unknown","floor":0.0022,"floor_unit":"relative (fraction of the value)","n_pairs":586,"value":0.01228},"sigma_printed":null,"sigma_reading":{"basis":"last_printed_digit","value":0.0005},"sigma_scatter":null,"unit":"Å","value_type":"LATTICE_LENGTH"}},"sigma_rule":"max(sqrt(max(printed, reading, method)^2 + composition^2 + conversion^2), scatter)"},"unit":"Å","unit_stored":"nm","value":5.582,"value_stored":0.5582},{"chemical_system":"CA","conditions":{"kind":"not_applicable_own_calculation"},"corrections":[{"after":"CA","before":"B-BA-CA-GA-SR","evidence":{"basis":"overall_composition_all_elements","overall_composition":{"BA":0.0,"CA":1.0,"GA":0.0,"SR":0.0},"phases":["UNKNOWN"]},"field":"system","gate":"A1","rule":"system_of_the_state"},{"after":[{"label":"(αCa)","label_source":"printed_source_page","pearson_symbol":"cF4","prototype":"Cu","structure_basis":"printed_source_page"}],"before":[{"label":"UNKNOWN"}],"evidence":{"batch":"table_context_batch_01","doi":"10.1016/j.calphad.2013.09.002","pdf_page":2,"pdf_sha256":"cb38fae1d94c72fa4ac095429ad984aa4e1696c34e80e9c6aeff30c89653af2c","printed":"(αCa) | Cu | cF4 | Fm-3m | 0.5582 [11] / 0.5570 F.P.","rationale":"Printed table context for this group supplies phase, pearson_symbol, prototype, space_group; shared fields only, row values, references, uncertainty, composition and conditions unchanged; no forward fill across groups and no inference from symmetry, composition or other papers.","report_id":"ORCHID-TC-20261027-v1","source_group_rows":[4,5],"table":"1","table_key":"t014"},"field":"phases","gate":"TC20261027","rule":"source_adjudicated_table_context","visual_check":{"checked":"2026-10-27; Claude rendered-page inspection, table-context batch 01","image_sha256":"4a99cc431d0fd02fdff13b1d9e17501addd1e6db8b82b6fef6c06210926adb3f","page":2,"pdf_sha256_prefix":"cb38fae1d94c72fa","seen":"first row prints phase/prototype/Pearson/space group; F.P. continuation row inherits","verdict":"confirmed"}},{"after":{"pearson_symbol":"cF4","phase":"(αCa)","prototype":"Cu","space_group":"Fm-3m"},"before":null,"evidence":{"batch":"table_context_batch_01","doi":"10.1016/j.calphad.2013.09.002","pdf_page":2,"pdf_sha256":"cb38fae1d94c72fa4ac095429ad984aa4e1696c34e80e9c6aeff30c89653af2c","printed":"(αCa) | Cu | cF4 | Fm-3m | 0.5582 [11] / 0.5570 F.P.","rationale":"Printed table context for this group supplies phase, pearson_symbol, prototype, space_group; shared fields only, row values, references, uncertainty, composition and conditions unchanged; no forward fill across groups and no inference from symmetry, composition or other papers.","report_id":"ORCHID-TC-20261027-v1","source_group_rows":[4,5],"table":"1","table_key":"t014"},"field":"structure","gate":"TC20261027","rule":"source_adjudicated_table_context","visual_check":{"checked":"2026-10-27; Claude rendered-page inspection, table-context batch 01","image_sha256":"4a99cc431d0fd02fdff13b1d9e17501addd1e6db8b82b6fef6c06210926adb3f","page":2,"pdf_sha256_prefix":"cb38fae1d94c72fa","seen":"first row prints phase/prototype/Pearson/space group; F.P. continuation row inherits","verdict":"confirmed"}}],"evidence_class":"dft","flags":{"calphad_check":"not_available","espei_certified":false,"espei_ready":false,"extraction_accepted":true,"review_state":"extracted","specification_gaps":["table_context_correction_requires_downstream_revalidation"],"state_fully_specified":false,"system_is_state_subsystem":true},"fold_lpo":2,"fold_lso":0,"id":"ORC-ETWJSAX4GF","locator":{"ref":"sha256:cb38fae1d94c72fa/p2/tab-1","row":5},"method":"First-Principles","method_basis":"printed in the table row/column","observation_type":"structural_property","origin":{"basis":"this_work+label_first_principles","class":"computed","measured_in":"doi:10.1016/j.calphad.2013.09.002","own_work_of_paper":true},"overall_composition":{"CA":1.0},"overall_composition_basis":"from_formula","overall_composition_stored":{"BA":0.0,"CA":1.0,"GA":0.0,"SR":0.0},"paper":"doi:10.1016/j.calphad.2013.09.002","paper_id":"doi:10.1016/j.calphad.2013.09.002","phases":[{"label":"(αCa)","label_source":"printed_source_page","pearson_symbol":"cF4","prototype":"Cu","structure_basis":"printed_source_page"}],"pid":"sha256:cb38fae1d94c72fa/p2/tab-1/r05#structural_property","pressure_Pa":101325,"pressure_basis":"assumed_default_1_atm_not_printed","pressure_basis_stored":"unstated_assumed","property":"LATTICE_A","property_group":"crystal structure","reader_agreement":"single_reader_text_layer","reader_agreement_label":"single reader + PDF text layer","reader_tier":"confirmed_pro","readers":["claude-opus-5.5","text_layer"],"record_kind":"general_table","source_system":"B-BA-CA-GA-SR","structure":{"pearson_symbol":"cF4","phase":"(αCa)","prototype":"Cu","space_group":"Fm-3m"},"system":"CA","temperature_K":0.0,"temperature_basis":"printed","temperature_printed":"0 K","tool_release":"tools-release-v2.1.18","uncertainty":{"basis":"reading_resolution","value":0.005},"uncertainty_budget":{"calibration":"orchid-uncertainty-calibration 2026-10-24 (audit round 2) sha256 6a2b5a92b0ec","quantities":{"value":{"sigma_composition":null,"sigma_conversion":null,"sigma_effective":0.0557,"sigma_method":{"basis":"prior","class":"dft","entry":"dft/priors/LATTICE_LENGTH","floor":0.01,"floor_unit":"relative (fraction of the value)","value":0.0557},"sigma_printed":null,"sigma_reading":{"basis":"last_printed_digit","value":0.005},"sigma_scatter":null,"unit":"Å","value_type":"LATTICE_LENGTH"}},"sigma_rule":"max(sqrt(max(printed, reading, method)^2 + composition^2 + conversion^2), scatter)"},"unit":"Å","unit_stored":"nm","value":5.57,"value_stored":0.557},{"chemical_system":"CA","cited_sources":[{"doi":"10.1107/s0365110x59001268","first_author":"Bernstein","kind":"unknown","label":"13","paper":"doi:10.1107/s0365110x59001268","reference":"B.T. Bernstein, J.F. Smith, Acta Crystallogr. 12 (1959) 419–420.","status":"resolved","year":"1959"}],"conditions":{"kind":"cited_source","note":"conditions in the cited source"},"corrections":[{"after":"CA","before":"B-BA-CA-GA-SR","evidence":{"basis":"overall_composition_all_elements","overall_composition":{"BA":0.0,"CA":1.0,"GA":0.0,"SR":0.0},"phases":["UNKNOWN"]},"field":"system","gate":"A1","rule":"system_of_the_state"},{"after":[{"label":"(βCa)","label_source":"printed_source_page","pearson_symbol":"cI2","prototype":"W","structure_basis":"printed_source_page"}],"before":[{"label":"UNKNOWN"}],"evidence":{"batch":"table_context_batch_01","doi":"10.1016/j.calphad.2013.09.002","pdf_page":2,"pdf_sha256":"cb38fae1d94c72fa4ac095429ad984aa4e1696c34e80e9c6aeff30c89653af2c","printed":"(βCa) | W | cI2 | Im-3m | 0.4480 [13] / 0.4453 F.P.","rationale":"Printed table context for this group supplies phase, pearson_symbol, prototype, space_group; shared fields only, row values, references, uncertainty, composition and conditions unchanged; no forward fill across groups and no inference from symmetry, composition or other papers.","report_id":"ORCHID-TC-20261027-v1","source_group_rows":[6,7],"table":"1","table_key":"t014"},"field":"phases","gate":"TC20261027","rule":"source_adjudicated_table_context","visual_check":{"checked":"2026-10-27; Claude rendered-page inspection, table-context batch 01","image_sha256":"4a99cc431d0fd02fdff13b1d9e17501addd1e6db8b82b6fef6c06210926adb3f","page":2,"pdf_sha256_prefix":"cb38fae1d94c72fa","seen":"first row prints phase/prototype/Pearson/space group; F.P. continuation row inherits","verdict":"confirmed"}},{"after":{"pearson_symbol":"cI2","phase":"(βCa)","prototype":"W","space_group":"Im-3m"},"before":null,"evidence":{"batch":"table_context_batch_01","doi":"10.1016/j.calphad.2013.09.002","pdf_page":2,"pdf_sha256":"cb38fae1d94c72fa4ac095429ad984aa4e1696c34e80e9c6aeff30c89653af2c","printed":"(βCa) | W | cI2 | Im-3m | 0.4480 [13] / 0.4453 F.P.","rationale":"Printed table context for this group supplies phase, pearson_symbol, prototype, space_group; shared fields only, row values, references, uncertainty, composition and conditions unchanged; no forward fill across groups and no inference from symmetry, composition or other papers.","report_id":"ORCHID-TC-20261027-v1","source_group_rows":[6,7],"table":"1","table_key":"t014"},"field":"structure","gate":"TC20261027","rule":"source_adjudicated_table_context","visual_check":{"checked":"2026-10-27; Claude rendered-page inspection, table-context batch 01","image_sha256":"4a99cc431d0fd02fdff13b1d9e17501addd1e6db8b82b6fef6c06210926adb3f","page":2,"pdf_sha256_prefix":"cb38fae1d94c72fa","seen":"first row prints phase/prototype/Pearson/space group; F.P. continuation row inherits","verdict":"confirmed"}}],"evidence_class":"experimental","flags":{"calphad_check":"not_available","espei_certified":false,"espei_ready":false,"extraction_accepted":true,"review_state":"extracted","specification_gaps":["table_context_correction_requires_downstream_revalidation"],"state_fully_specified":false,"system_is_state_subsystem":true},"fold_lpo":2,"fold_lso":0,"id":"ORC-ECTKZQFZ2R","locator":{"ref":"sha256:cb38fae1d94c72fa/p2/tab-1","row":6},"observation_type":"structural_property","origin":{"basis":"cited_work_before_1980_assumed_experimental","class":"experimental","own_work_of_paper":false},"overall_composition":{"CA":1.0},"overall_composition_basis":"from_formula","overall_composition_stored":{"BA":0.0,"CA":1.0,"GA":0.0,"SR":0.0},"paper":"doi:10.1016/j.calphad.2013.09.002","paper_id":"doi:10.1016/j.calphad.2013.09.002","phases":[{"label":"(βCa)","label_source":"printed_source_page","pearson_symbol":"cI2","prototype":"W","structure_basis":"printed_source_page"}],"pid":"sha256:cb38fae1d94c72fa/p2/tab-1/r06#structural_property","pressure_Pa":101325,"pressure_basis":"assumed_default_1_atm_not_printed","pressure_basis_stored":"unstated_assumed","property":"LATTICE_A","property_group":"crystal structure","reader_agreement":"single_reader_text_layer","reader_agreement_label":"single reader + PDF text layer","reader_tier":"confirmed_pro","readers":["claude-opus-5.5","text_layer"],"record_kind":"general_table","source_system":"B-BA-CA-GA-SR","structure":{"pearson_symbol":"cI2","phase":"(βCa)","prototype":"W","space_group":"Im-3m"},"system":"CA","temperature_K":298.15,"temperature_basis":"assumed_room_temperature","tool_release":"tools-release-v2.1.18","uncertainty":{"basis":"reading_resolution","value":0.005},"uncertainty_budget":{"calibration":"orchid-uncertainty-calibration 2026-10-24 (audit round 2) sha256 6a2b5a92b0ec","quantities":{"value":{"sigma_composition":null,"sigma_conversion":null,"sigma_effective":0.009856,"sigma_method":{"basis":"calibrated","ci95":[0.001793,0.002549],"class":"unknown","entry":"value_types/LATTICE_LENGTH/classes/unknown","floor":0.0022,"floor_unit":"relative (fraction of the value)","n_pairs":586,"value":0.009856},"sigma_printed":null,"sigma_reading":{"basis":"last_printed_digit","value":0.005},"sigma_scatter":null,"unit":"Å","value_type":"LATTICE_LENGTH"}},"sigma_rule":"max(sqrt(max(printed, reading, method)^2 + composition^2 + conversion^2), scatter)"},"unit":"Å","unit_stored":"nm","value":4.48,"value_stored":0.448},{"chemical_system":"CA","conditions":{"kind":"not_applicable_own_calculation"},"corrections":[{"after":"CA","before":"B-BA-CA-GA-SR","evidence":{"basis":"overall_composition_all_elements","overall_composition":{"BA":0.0,"CA":1.0,"GA":0.0,"SR":0.0},"phases":["UNKNOWN"]},"field":"system","gate":"A1","rule":"system_of_the_state"},{"after":[{"label":"(βCa)","label_source":"printed_source_page","pearson_symbol":"cI2","prototype":"W","structure_basis":"printed_source_page"}],"before":[{"label":"UNKNOWN"}],"evidence":{"batch":"table_context_batch_01","doi":"10.1016/j.calphad.2013.09.002","pdf_page":2,"pdf_sha256":"cb38fae1d94c72fa4ac095429ad984aa4e1696c34e80e9c6aeff30c89653af2c","printed":"(βCa) | W | cI2 | Im-3m | 0.4480 [13] / 0.4453 F.P.","rationale":"Printed table context for this group supplies phase, pearson_symbol, prototype, space_group; shared fields only, row values, references, uncertainty, composition and conditions unchanged; no forward fill across groups and no inference from symmetry, composition or other papers.","report_id":"ORCHID-TC-20261027-v1","source_group_rows":[6,7],"table":"1","table_key":"t014"},"field":"phases","gate":"TC20261027","rule":"source_adjudicated_table_context","visual_check":{"checked":"2026-10-27; Claude rendered-page inspection, table-context batch 01","image_sha256":"4a99cc431d0fd02fdff13b1d9e17501addd1e6db8b82b6fef6c06210926adb3f","page":2,"pdf_sha256_prefix":"cb38fae1d94c72fa","seen":"first row prints phase/prototype/Pearson/space group; F.P. continuation row inherits","verdict":"confirmed"}},{"after":{"pearson_symbol":"cI2","phase":"(βCa)","prototype":"W","space_group":"Im-3m"},"before":null,"evidence":{"batch":"table_context_batch_01","doi":"10.1016/j.calphad.2013.09.002","pdf_page":2,"pdf_sha256":"cb38fae1d94c72fa4ac095429ad984aa4e1696c34e80e9c6aeff30c89653af2c","printed":"(βCa) | W | cI2 | Im-3m | 0.4480 [13] / 0.4453 F.P.","rationale":"Printed table context for this group supplies phase, pearson_symbol, prototype, space_group; shared fields only, row values, references, uncertainty, composition and conditions unchanged; no forward fill across groups and no inference from symmetry, composition or other papers.","report_id":"ORCHID-TC-20261027-v1","source_group_rows":[6,7],"table":"1","table_key":"t014"},"field":"structure","gate":"TC20261027","rule":"source_adjudicated_table_context","visual_check":{"checked":"2026-10-27; Claude rendered-page inspection, table-context batch 01","image_sha256":"4a99cc431d0fd02fdff13b1d9e17501addd1e6db8b82b6fef6c06210926adb3f","page":2,"pdf_sha256_prefix":"cb38fae1d94c72fa","seen":"first row prints phase/prototype/Pearson/space group; F.P. continuation row inherits","verdict":"confirmed"}}],"evidence_class":"dft","flags":{"calphad_check":"not_available","espei_certified":false,"espei_ready":false,"extraction_accepted":true,"review_state":"extracted","specification_gaps":["table_context_correction_requires_downstream_revalidation"],"state_fully_specified":false,"system_is_state_subsystem":true},"fold_lpo":2,"fold_lso":0,"id":"ORC-NCJU5AOL4U","locator":{"ref":"sha256:cb38fae1d94c72fa/p2/tab-1","row":7},"method":"First-Principles","method_basis":"printed in the table row/column","observation_type":"structural_property","origin":{"basis":"this_work+label_first_principles","class":"computed","measured_in":"doi:10.1016/j.calphad.2013.09.002","own_work_of_paper":true},"overall_composition":{"CA":1.0},"overall_composition_basis":"from_formula","overall_composition_stored":{"BA":0.0,"CA":1.0,"GA":0.0,"SR":0.0},"paper":"doi:10.1016/j.calphad.2013.09.002","paper_id":"doi:10.1016/j.calphad.2013.09.002","phases":[{"label":"(βCa)","label_source":"printed_source_page","pearson_symbol":"cI2","prototype":"W","structure_basis":"printed_source_page"}],"pid":"sha256:cb38fae1d94c72fa/p2/tab-1/r07#structural_property","pressure_Pa":101325,"pressure_basis":"assumed_default_1_atm_not_printed","pressure_basis_stored":"unstated_assumed","property":"LATTICE_A","property_group":"crystal structure","reader_agreement":"single_reader_text_layer","reader_agreement_label":"single reader + PDF text layer","reader_tier":"confirmed_pro","readers":["claude-opus-5.5","text_layer"],"record_kind":"general_table","source_system":"B-BA-CA-GA-SR","structure":{"pearson_symbol":"cI2","phase":"(βCa)","prototype":"W","space_group":"Im-3m"},"system":"CA","temperature_K":0.0,"temperature_basis":"printed","temperature_printed":"0 K","tool_release":"tools-release-v2.1.18","uncertainty":{"basis":"reading_resolution","value":0.0005},"uncertainty_budget":{"calibration":"orchid-uncertainty-calibration 2026-10-24 (audit round 2) sha256 6a2b5a92b0ec","quantities":{"value":{"sigma_composition":null,"sigma_conversion":null,"sigma_effective":0.04453,"sigma_method":{"basis":"prior","class":"dft","entry":"dft/priors/LATTICE_LENGTH","floor":0.01,"floor_unit":"relative (fraction of the value)","value":0.04453},"sigma_printed":null,"sigma_reading":{"basis":"last_printed_digit","value":0.0005},"sigma_scatter":null,"unit":"Å","value_type":"LATTICE_LENGTH"}},"sigma_rule":"max(sqrt(max(printed, reading, method)^2 + composition^2 + conversion^2), scatter)"},"unit":"Å","unit_stored":"nm","value":4.453,"value_stored":0.4453},{"chemical_system":"CA","cited_sources":[{"doi":"10.1007/bf02881269","first_author":"Baren","kind":"assessment","label":"14","paper":"doi:10.1007/bf02881269","reference":"M.R. Baren, Bull. Alloy Phase Diagram 9 (3) (1988) 228–231.","status":"resolved","year":"1988"}],"conditions":{"kind":"cited_source","note":"conditions in the cited source"},"corrections":[{"after":"CA","before":"AG-CA","evidence":{"basis":"every_phase_determined","overall_composition":null,"phases":["(βCa)","(αCa)"]},"field":"system","gate":"A1","rule":"system_of_the_state"}],"evidence_class":"unspecified","flags":{"calphad_check":"agrees","espei_certified":false,"espei_ready":false,"extraction_accepted":true,"plausibility":{"calculation":"pure CA transition temperatures","dT_K":0.0,"model":"SGTE unary 5.0 (unary50_bengt.tdb)","result":"pass","tolerance":{"dT_K":25.0}},"review_state":"extracted","row_state":"settled","state_fully_specified":true,"system_is_state_subsystem":true},"fold_lpo":2,"fold_lso":0,"id":"ORC-RHE6APXWSN","locator":{"ref":"doi:10.1016/j.jallcom.2007.06.064/p3/tab-3","row":20},"observation_type":"phase_transition","origin":{"basis":"cited_work_is_assessment_unconfirmed","class":"unspecified","measured_in":"doi:10.1007/bf02881269","measured_in_basis":"cited_work","own_work_of_paper":false},"paper":"doi:10.1016/j.jallcom.2007.06.064","paper_id":"doi:10.1016/j.jallcom.2007.06.064","phase_compositions":[{"basis":"mole_fraction","composition":{"CA":1.0},"composition_source":"printed","phase":"(βCa)"}],"phases":[{"label":"(βCa)","mapping_confidence":"confirmed","model_phase":"BCC_A2","pearson_symbol":"cI2","prototype":"W","structure_basis":"mapped_model_phase"},{"label":"(αCa)","mapping_confidence":"confirmed","model_phase":"FCC_A1","pearson_symbol":"cF4","prototype":"Cu","structure_basis":"mapped_model_phase"}],"pid":"doi:10.1016/j.jallcom.2007.06.064/p3/tab-3/r-unplaced-a2207385#transition","pressure_Pa":101325,"pressure_basis":"assumed_default_1_atm_not_printed","pressure_basis_stored":"stated_default_1_atm","property":"TRANSITION_TEMPERATURE","property_group":"phase transition","reaction":{"printed":"(βCa) -> (αCa)","type":"polymorphic"},"reader_agreement":"multi_reader","reader_agreement_basis":"derived_from_readers","reader_agreement_label":"confirmed (two or more readers)","reader_tier":"preliminary_flash+claude","readers":["claude-opus-5.5","gemini-3.8-flash"],"record_kind":"invariant_table","source_system":"AG-CA","system":"CA","temperature_K":716,"temperature_printed":"716","temperature_uncertainty":{"basis":"stated_default","value":2.0},"tool_release":"v2.1.19p","transition_kind":"polymorphic","transition_kind_printed":"Allotropic","uncertainty_budget":{"calibration":"orchid-uncertainty-calibration 2026-10-24 (audit round 2) sha256 6a2b5a92b0ec","quantities":{"composition":{"sigma_composition":null,"sigma_conversion":null,"sigma_effective":0.05,"sigma_method":{"basis":"calibrated","ci95":[0.010484,0.011532],"class":"unknown","entry":"value_types/X_PHASE/classes/unknown","floor":0.011,"floor_unit":"mole fraction","n_pairs":3014,"value":0.011},"sigma_printed":null,"sigma_reading":{"basis":"last_stored_digit","value":0.05},"sigma_scatter":null,"unit":"mole fraction","value_type":"X_PHASE"},"value":{"sigma_composition":null,"sigma_conversion":null,"sigma_effective":16.0,"sigma_method":{"basis":"calibrated","ci95":[10.483565,26.208913],"class":"unknown","entry":"value_types/T_TRANSITION/classes/unknown","floor":16.0,"floor_unit":"K","n_pairs":274,"value":16.0},"sigma_printed":null,"sigma_reading":{"basis":"last_printed_digit","value":0.5},"sigma_scatter":null,"unit":"K","value_type":"T_TRANSITION"}},"sigma_rule":"max(sqrt(max(printed, reading, method)^2 + composition^2 + conversion^2), scatter)"},"unit":"K","value":716},{"chemical_system":"CA","conditions":{"kind":"not_applicable_own_calculation"},"corrections":[{"after":"CA","before":"AG-CA","evidence":{"basis":"every_phase_determined","overall_composition":null,"phases":["(βCa)","(αCa)"]},"field":"system","gate":"A1","rule":"system_of_the_state"}],"evidence_class":"model","flags":{"calphad_check":"agrees","espei_certified":false,"espei_ready":false,"extraction_accepted":true,"plausibility":{"calculation":"pure CA transition temperatures","dT_K":0.0,"model":"SGTE unary 5.0 (unary50_bengt.tdb)","result":"pass","tolerance":{"dT_K":25.0}},"review_state":"extracted","row_state":"settled","state_fully_specified":true,"system_is_state_subsystem":true},"fold_lpo":2,"fold_lso":0,"id":"ORC-CA7KCG2DVF","locator":{"ref":"doi:10.1016/j.jallcom.2007.06.064/p3/tab-3","row":19},"model":"M487fe799","observation_type":"phase_transition","origin":{"basis":"this_work+paper_text_states_calculated","class":"model_value","measured_in":"doi:10.1016/j.jallcom.2007.06.064","measured_in_basis":"reporting_paper_own_value","own_work_of_paper":true},"paper":"doi:10.1016/j.jallcom.2007.06.064","paper_id":"doi:10.1016/j.jallcom.2007.06.064","phase_compositions":[{"basis":"mole_fraction","composition":{"CA":1.0},"composition_source":"printed","phase":"(βCa)"}],"phases":[{"label":"(βCa)","mapping_confidence":"confirmed","model_phase":"BCC_A2","pearson_symbol":"cI2","prototype":"W","structure_basis":"mapped_model_phase"},{"label":"(αCa)","mapping_confidence":"confirmed","model_phase":"FCC_A1","pearson_symbol":"cF4","prototype":"Cu","structure_basis":"mapped_model_phase"}],"pid":"doi:10.1016/j.jallcom.2007.06.064/p3/tab-3/r14#transition","pressure_Pa":101325,"pressure_basis":"assumed_default_1_atm_not_printed","pressure_basis_stored":"stated_default_1_atm","property":"TRANSITION_TEMPERATURE","property_group":"phase transition","reaction":{"printed":"(βCa) -> (αCa)","type":"polymorphic"},"reader_agreement":"multi_reader","reader_agreement_basis":"derived_from_readers","reader_agreement_label":"confirmed (two or more readers)","reader_tier":"preliminary_flash+claude","readers":["claude-opus-5.5","gemini-3.8-flash","text_layer"],"record_kind":"invariant_table","source_system":"AG-CA","system":"CA","temperature_K":716,"temperature_printed":"716","temperature_uncertainty":{"basis":"stated_default","value":2.0},"tool_release":"v2.1.19p","transition_kind":"polymorphic","transition_kind_printed":"Allotropic","uncertainty_budget":{"calibration":"orchid-uncertainty-calibration 2026-10-24 (audit round 2) sha256 6a2b5a92b0ec","quantities":{"composition":{"sigma_composition":null,"sigma_conversion":null,"sigma_effective":0.05,"sigma_method":{"basis":"calibrated","ci95":[0.004448,0.004448],"class":"model_calculated","entry":"model/X_PHASE","floor":0.005,"floor_unit":"mole fraction","n_pairs":16730,"value":0.005},"sigma_printed":null,"sigma_reading":{"basis":"last_stored_digit","value":0.05},"sigma_scatter":null,"unit":"mole fraction","value_type":"X_PHASE"},"value":{"sigma_composition":null,"sigma_conversion":null,"sigma_effective":10.0,"sigma_method":{"basis":"prior","ci95":null,"class":"model_calculated","entry":"model/T_TRANSITION","floor":10.0,"floor_unit":"K","n_pairs":129,"value":10.0},"sigma_printed":null,"sigma_reading":{"basis":"last_printed_digit","value":0.5},"sigma_scatter":null,"unit":"K","value_type":"T_TRANSITION"}},"sigma_rule":"max(sqrt(max(printed, reading, method)^2 + composition^2 + conversion^2), scatter)"},"unit":"K","value":716},{"chemical_system":"CA","conditions":{"kind":"not_applicable_own_calculation"},"corrections":[{"after":"CA","before":"CA-PB","evidence":{"basis":"every_phase_determined","overall_composition":null,"phases":["βCa","αCa"]},"field":"system","gate":"A1","rule":"system_of_the_state"}],"evidence_class":"model","flags":{"calphad_check":"not_available","espei_certified":false,"espei_ready":false,"extraction_accepted":true,"review_state":"extracted","row_state":"settled","state_fully_specified":true,"system_is_state_subsystem":true},"fold_lpo":3,"fold_lso":0,"id":"ORC-MLCEBOCZN7","locator":{"ref":"doi:10.1016/j.tca.2004.01.001/p4/tab-3","row":2},"model":"M073b51bc","observation_type":"invariant_reaction","origin":{"basis":"this_work+paper_text_states_calculated","class":"model_value","measured_in":"doi:10.1016/j.tca.2004.01.001","own_work_of_paper":true},"paper":"doi:10.1016/j.tca.2004.01.001","paper_id":"doi:10.1016/j.tca.2004.01.001","phase_compositions":[{"basis":"mole_fraction (converted from atomic percent)","composition":{},"composition_source":"printed","composition_stored":{"PB":0.0},"phase":"αCa"}],"phases":[{"label":"βCa","model_phase":"BCC_A2","pearson_symbol":"cI2","prototype":"W","structure_basis":"mapped_model_phase"},{"label":"αCa","model_phase":"FCC_A1","pearson_symbol":"cF4","prototype":"Cu","structure_basis":"mapped_model_phase"}],"pid":"doi:10.1016/j.tca.2004.01.001/p4/tab-3/r02#invariant_reaction","pressure_Pa":101325,"pressure_basis":"assumed_default_1_atm_not_printed","pressure_basis_stored":"stated_default_1_atm","property":"INVARIANT_TEMPERATURE","property_group":"invariant reaction","reaction":{"printed":"βCa ↔ αCa","type":"polymorphic"},"reader_agreement":"multi_reader","reader_agreement_basis":"derived_from_readers","reader_agreement_label":"confirmed (two or more readers)","reader_tier":"preliminary_flash+claude","readers":["claude-opus-5.5","gemini-3.8-flash","text_layer"],"record_kind":"invariant_table","source_system":"CA-PB","system":"CA","temperature_K":716.03,"temperature_printed":"716.03","temperature_uncertainty":{"basis":"stated_default","value":2.0},"tool_release":"v2.1.19n","transition_kind":"polymorphic","transition_kind_printed":"Allotropic","uncertainty_budget":{"calibration":"orchid-uncertainty-calibration 2026-10-24 (audit round 2) sha256 6a2b5a92b0ec","quantities":{"value":{"sigma_composition":null,"sigma_conversion":null,"sigma_effective":4.0,"sigma_method":{"basis":"calibrated","ci95":[3.11346,4.29954],"class":"model_calculated","entry":"model/T_INVARIANT","floor":4.0,"floor_unit":"K","n_pairs":14146,"value":4.0},"sigma_printed":null,"sigma_reading":{"basis":"last_printed_digit","value":0.005},"sigma_scatter":null,"unit":"K","value_type":"T_INVARIANT"}},"sigma_rule":"max(sqrt(max(printed, reading, method)^2 + composition^2 + conversion^2), scatter)"},"unit":"K","value":716.03},{"chemical_system":"CA","cited_sources":[{"first_author":"Chase","kind":"assessment","label":"26","reference":"M.W. Chase, C.A. Davies, J.R. Downey, D.J. Frurip, R.A. Mac Donald, A.N. Syverud, JANAF thermodynamical tables, 3rd edition, J. Phys. Chem. Ref. Data 14 (1985) 688–1753.","status":"resolved","year":"1985"}],"conditions":{"kind":"cited_source","note":"conditions in the cited source"},"corrections":[{"after":"CA","before":"CA-PB","evidence":{"basis":"every_phase_determined","overall_composition":null,"phases":["βCa","αCa"]},"field":"system","gate":"A1","rule":"system_of_the_state"}],"evidence_class":"experimental","flags":{"calphad_check":"not_available","espei_certified":false,"espei_ready":false,"extraction_accepted":true,"review_state":"extracted","row_state":"settled","state_fully_specified":true,"system_is_state_subsystem":true},"fold_lpo":3,"fold_lso":0,"id":"ORC-3XPSWUKDWY","locator":{"ref":"doi:10.1016/j.tca.2004.01.001/p4/tab-3","row":3},"observation_type":"invariant_reaction","origin":{"basis":"printed_source_experimental","class":"experimental","own_work_of_paper":false},"paper":"doi:10.1016/j.tca.2004.01.001","paper_id":"doi:10.1016/j.tca.2004.01.001","phase_compositions":[{"basis":"mole_fraction (converted from atomic percent)","composition":{},"composition_source":"printed","composition_stored":{"PB":0.0},"phase":"αCa"}],"phases":[{"label":"βCa","model_phase":"BCC_A2","pearson_symbol":"cI2","prototype":"W","structure_basis":"mapped_model_phase"},{"label":"αCa","model_phase":"FCC_A1","pearson_symbol":"cF4","prototype":"Cu","structure_basis":"mapped_model_phase"}],"pid":"doi:10.1016/j.tca.2004.01.001/p4/tab-3/r03#invariant_reaction","pressure_Pa":101325,"pressure_basis":"assumed_default_1_atm_not_printed","pressure_basis_stored":"stated_default_1_atm","property":"INVARIANT_TEMPERATURE","property_group":"invariant reaction","reaction":{"printed":"βCa ↔ αCa","type":"polymorphic"},"reader_agreement":"multi_reader","reader_agreement_basis":"derived_from_readers","reader_agreement_label":"confirmed (two or more readers)","reader_tier":"preliminary_flash+claude","readers":["claude-opus-5.5","gemini-3.8-flash","text_layer"],"record_kind":"invariant_table","source_system":"CA-PB","system":"CA","temperature_K":716.15,"temperature_printed":"716.15","temperature_uncertainty":{"basis":"stated_default","value":2.0},"tool_release":"v2.1.19n","transition_kind":"polymorphic","transition_kind_printed":"Allotropic","uncertainty_budget":{"calibration":"orchid-uncertainty-calibration 2026-10-24 (audit round 2) sha256 6a2b5a92b0ec","quantities":{"value":{"sigma_composition":null,"sigma_conversion":null,"sigma_effective":11.0,"sigma_method":{"basis":"calibrated","ci95":[9.435209,10.483565],"class":"unknown","entry":"value_types/T_INVARIANT/classes/unknown","floor":11.0,"floor_unit":"K","n_pairs":4912,"value":11.0},"sigma_printed":null,"sigma_reading":{"basis":"last_printed_digit","value":0.005},"sigma_scatter":null,"unit":"K","value_type":"T_INVARIANT"}},"sigma_rule":"max(sqrt(max(printed, reading, method)^2 + composition^2 + conversion^2), scatter)"},"unit":"K","value":716.15},{"chemical_system":"CA","cited_sources":[{"kind":"unknown","label":"14","status":"unresolved"}],"conditions":{"kind":"cited_source","note":"conditions in the cited source"},"corrections":[{"after":"CA","before":"CA-MG","evidence":{"basis":"every_phase_determined","overall_composition":null,"phases":["Ca-fcc","Ca-bcc"]},"field":"system","gate":"A1","rule":"system_of_the_state"}],"evidence_class":"unspecified","flags":{"calphad_check":"agrees","espei_certified":false,"espei_ready":false,"extraction_accepted":true,"plausibility":{"calculation":"pure CA transition temperatures","dT_K":0.0,"model":"SGTE unary 5.0 (unary50_bengt.tdb)","result":"pass","tolerance":{"dT_K":25.0}},"review_state":"extracted","row_state":"settled","source_disputed":true,"state_fully_specified":true,"system_is_state_subsystem":true},"fold_lpo":4,"fold_lso":0,"id":"ORC-UJGR7MIX2I","locator":{"ref":"doi:10.1179/cmq.2005.44.4.523/p5/tab-ii","row":11},"observation_type":"phase_transition","origin":{"basis":"no_printed_or_resolvable_source_kind","class":"unspecified","measured_in":"unresolved:source:doi:10-1179-cmq-2005-44-4-523#14","measured_in_basis":"cited_work","own_work_of_paper":false},"paper":"doi:10.1179/cmq.2005.44.4.523","paper_id":"doi:10.1179/cmq.2005.44.4.523","phase_compositions":[{"basis":"mole_fraction","composition":{},"composition_source":"printed","composition_stored":{"MG":0.0},"phase":"Ca-fcc"}],"phases":[{"label":"Ca-fcc","mapping_confidence":"confirmed","model_phase":"FCC_A1","pearson_symbol":"cF4","prototype":"Cu","structure_basis":"mapped_model_phase"},{"label":"Ca-bcc","mapping_confidence":"confirmed","model_phase":"BCC_A2","pearson_symbol":"cI2","prototype":"W","structure_basis":"mapped_model_phase"}],"pid":"doi:10.1179/cmq.2005.44.4.523/p5/tab-ii/r04#transition","pressure_Pa":101325,"pressure_basis":"assumed_default_1_atm_not_printed","pressure_basis_stored":"stated_default_1_atm","property":"TRANSITION_TEMPERATURE","property_group":"phase transition","reaction":{"printed":"Ca-fcc -> Ca-bcc","type":"polymorphic"},"reader_agreement":"multi_reader","reader_agreement_basis":"derived_from_readers","reader_agreement_label":"confirmed (two or more readers)","reader_tier":"preliminary_flash+claude","readers":["claude-opus-5.5","gemini-3.8-flash","text_layer"],"record_kind":"invariant_table","source_system":"CA-MG","system":"CA","temperature_K":716.0,"temperature_printed":"716.00","temperature_uncertainty":{"basis":"stated_default","value":2.0},"tool_release":"v2.1.19p","transition_kind":"polymorphic","transition_kind_printed":"Allotropic","uncertainty_budget":{"calibration":"orchid-uncertainty-calibration 2026-10-24 (audit round 2) sha256 6a2b5a92b0ec","quantities":{"value":{"sigma_composition":null,"sigma_conversion":null,"sigma_effective":16.0,"sigma_method":{"basis":"calibrated","ci95":[10.483565,26.208913],"class":"unknown","entry":"value_types/T_TRANSITION/classes/unknown","floor":16.0,"floor_unit":"K","n_pairs":274,"value":16.0},"sigma_printed":null,"sigma_reading":{"basis":"last_printed_digit","value":0.05},"sigma_scatter":null,"unit":"K","value_type":"T_TRANSITION"}},"sigma_rule":"max(sqrt(max(printed, reading, method)^2 + composition^2 + conversion^2), scatter)"},"unit":"K","value":716.0},{"chemical_system":"CA","cited_sources":[{"kind":"unknown","label":"15","status":"unresolved"}],"conditions":{"kind":"cited_source","note":"conditions in the cited source"},"corrections":[{"after":"CA","before":"CA-MG","evidence":{"basis":"every_phase_determined","overall_composition":null,"phases":["Ca-fcc","Ca-bcc"]},"field":"system","gate":"A1","rule":"system_of_the_state"}],"evidence_class":"unspecified","flags":{"calphad_check":"agrees","espei_certified":false,"espei_ready":false,"extraction_accepted":true,"plausibility":{"calculation":"pure CA transition temperatures","dT_K":0.0,"model":"SGTE unary 5.0 (unary50_bengt.tdb)","result":"pass","tolerance":{"dT_K":25.0}},"review_state":"extracted","row_state":"settled","source_disputed":true,"state_fully_specified":true,"system_is_state_subsystem":true},"fold_lpo":4,"fold_lso":0,"id":"ORC-UGACNCNAOX","locator":{"ref":"doi:10.1179/cmq.2005.44.4.523/p5/tab-ii","row":12},"observation_type":"phase_transition","origin":{"basis":"no_printed_or_resolvable_source_kind","class":"unspecified","measured_in":"unresolved:source:doi:10-1179-cmq-2005-44-4-523#15","measured_in_basis":"cited_work","own_work_of_paper":false},"paper":"doi:10.1179/cmq.2005.44.4.523","paper_id":"doi:10.1179/cmq.2005.44.4.523","phase_compositions":[{"basis":"mole_fraction","composition":{},"composition_source":"printed","composition_stored":{"MG":0.0},"phase":"Ca-fcc"}],"phases":[{"label":"Ca-fcc","mapping_confidence":"confirmed","model_phase":"FCC_A1","pearson_symbol":"cF4","prototype":"Cu","structure_basis":"mapped_model_phase"},{"label":"Ca-bcc","mapping_confidence":"confirmed","model_phase":"BCC_A2","pearson_symbol":"cI2","prototype":"W","structure_basis":"mapped_model_phase"}],"pid":"doi:10.1179/cmq.2005.44.4.523/p5/tab-ii/r05#transition","pressure_Pa":101325,"pressure_basis":"assumed_default_1_atm_not_printed","pressure_basis_stored":"stated_default_1_atm","property":"TRANSITION_TEMPERATURE","property_group":"phase transition","reaction":{"printed":"Ca-fcc -> Ca-bcc","type":"polymorphic"},"reader_agreement":"multi_reader","reader_agreement_basis":"derived_from_readers","reader_agreement_label":"confirmed (two or more readers)","reader_tier":"preliminary_flash+claude","readers":["claude-opus-5.5","gemini-3.8-flash","text_layer"],"record_kind":"invariant_table","source_system":"CA-MG","system":"CA","temperature_K":716.0,"temperature_printed":"716.00","temperature_uncertainty":{"basis":"stated_default","value":2.0},"tool_release":"v2.1.19p","transition_kind":"polymorphic","transition_kind_printed":"Allotropic","uncertainty_budget":{"calibration":"orchid-uncertainty-calibration 2026-10-24 (audit round 2) sha256 6a2b5a92b0ec","quantities":{"value":{"sigma_composition":null,"sigma_conversion":null,"sigma_effective":16.0,"sigma_method":{"basis":"calibrated","ci95":[10.483565,26.208913],"class":"unknown","entry":"value_types/T_TRANSITION/classes/unknown","floor":16.0,"floor_unit":"K","n_pairs":274,"value":16.0},"sigma_printed":null,"sigma_reading":{"basis":"last_printed_digit","value":0.05},"sigma_scatter":null,"unit":"K","value_type":"T_TRANSITION"}},"sigma_rule":"max(sqrt(max(printed, reading, method)^2 + composition^2 + conversion^2), scatter)"},"unit":"K","value":716.0},{"chemical_system":"CA","conditions":{"kind":"not_applicable_own_calculation"},"corrections":[{"after":"CA","before":"CA-MG","evidence":{"basis":"every_phase_determined","overall_composition":null,"phases":["Ca-fcc","Ca-bcc"]},"field":"system","gate":"A1","rule":"system_of_the_state"}],"evidence_class":"model","flags":{"calphad_check":"agrees","espei_certified":false,"espei_ready":false,"extraction_accepted":true,"plausibility":{"calculation":"pure CA transition temperatures","dT_K":0.0,"model":"SGTE unary 5.0 (unary50_bengt.tdb)","result":"pass","tolerance":{"dT_K":25.0}},"review_state":"extracted","row_state":"settled","state_fully_specified":true,"system_is_state_subsystem":true},"fold_lpo":4,"fold_lso":0,"id":"ORC-5OIC3E4J5Q","locator":{"ref":"doi:10.1179/cmq.2005.44.4.523/p5/tab-ii","row":13},"model":"Ma1e4c1b9","observation_type":"phase_transition","origin":{"basis":"this_work+paper_text_states_calculated","class":"model_value","measured_in":"doi:10.1179/cmq.2005.44.4.523","measured_in_basis":"reporting_paper_own_value","own_work_of_paper":true},"paper":"doi:10.1179/cmq.2005.44.4.523","paper_id":"doi:10.1179/cmq.2005.44.4.523","phase_compositions":[{"basis":"mole_fraction","composition":{},"composition_source":"printed","composition_stored":{"MG":0.0},"phase":"Ca-fcc"}],"phases":[{"label":"Ca-fcc","mapping_confidence":"confirmed","model_phase":"FCC_A1","pearson_symbol":"cF4","prototype":"Cu","structure_basis":"mapped_model_phase"},{"label":"Ca-bcc","mapping_confidence":"confirmed","model_phase":"BCC_A2","pearson_symbol":"cI2","prototype":"W","structure_basis":"mapped_model_phase"}],"pid":"doi:10.1179/cmq.2005.44.4.523/p5/tab-ii/r06#transition","pressure_Pa":101325,"pressure_basis":"assumed_default_1_atm_not_printed","pressure_basis_stored":"stated_default_1_atm","property":"TRANSITION_TEMPERATURE","property_group":"phase transition","reaction":{"printed":"Ca-fcc -> Ca-bcc","type":"polymorphic"},"reader_agreement":"multi_reader","reader_agreement_basis":"derived_from_readers","reader_agreement_label":"confirmed (two or more readers)","reader_tier":"preliminary_flash+claude","readers":["claude-opus-5.5","gemini-3.8-flash","text_layer"],"record_kind":"invariant_table","source_system":"CA-MG","system":"CA","temperature_K":716.0,"temperature_printed":"716.00","temperature_uncertainty":{"basis":"stated_default","value":2.0},"tool_release":"v2.1.19p","transition_kind":"polymorphic","transition_kind_printed":"Allotropic","uncertainty_budget":{"calibration":"orchid-uncertainty-calibration 2026-10-24 (audit round 2) sha256 6a2b5a92b0ec","quantities":{"value":{"sigma_composition":null,"sigma_conversion":null,"sigma_effective":10.0,"sigma_method":{"basis":"prior","ci95":null,"class":"model_calculated","entry":"model/T_TRANSITION","floor":10.0,"floor_unit":"K","n_pairs":129,"value":10.0},"sigma_printed":null,"sigma_reading":{"basis":"last_printed_digit","value":0.05},"sigma_scatter":null,"unit":"K","value_type":"T_TRANSITION"}},"sigma_rule":"max(sqrt(max(printed, reading, method)^2 + composition^2 + conversion^2), scatter)"},"unit":"K","value":716.0},{"chemical_system":"CA","cited_sources":[{"kind":"unknown","label":"26","status":"unresolved"}],"conditions":{"kind":"cited_source","note":"conditions in the cited source"},"corrections":[{"after":"CA","before":"AL-CA","evidence":{"basis":"every_phase_determined","overall_composition":null,"phases":["L","Ca-bcc"]},"field":"system","gate":"A1","rule":"system_of_the_state"}],"evidence_class":"unspecified","flags":{"calphad_check":"not_available","espei_certified":false,"espei_ready":false,"extraction_accepted":true,"review_state":"extracted","row_state":"settled","source_disputed":true,"state_fully_specified":true,"system_is_state_subsystem":true},"fold_lpo":4,"fold_lso":0,"id":"ORC-CZZOAYWWIF","locator":{"ref":"doi:10.1179/cmq.2005.44.4.523/p8/tab-iv","row":4},"observation_type":"phase_transition","origin":{"basis":"no_printed_or_resolvable_source_kind","class":"unspecified","measured_in":"unresolved:source:doi:10-1179-cmq-2005-44-4-523#26","measured_in_basis":"cited_work","own_work_of_paper":false},"paper":"doi:10.1179/cmq.2005.44.4.523","paper_id":"doi:10.1179/cmq.2005.44.4.523","phase_compositions":[{"basis":"mole_fraction","composition":{"CA":1.0},"composition_source":"printed","phase":"L"}],"phases":[{"label":"L","mapping_confidence":"confirmed","model_phase":"LIQUID"},{"label":"Ca-bcc","mapping_confidence":"confirmed","model_phase":"BCC_A2","pearson_symbol":"cI2","prototype":"W","structure_basis":"mapped_model_phase"}],"pid":"doi:10.1179/cmq.2005.44.4.523/p8/tab-iv/r-unplaced-6fb7f8eb#transition","pressure_Pa":101325,"pressure_basis":"assumed_default_1_atm_not_printed","pressure_basis_stored":"stated_default_1_atm","property":"TRANSITION_TEMPERATURE","property_group":"phase transition","reaction":{"printed":"L -> Ca-bcc","type":"congruent melting"},"reader_agreement":"multi_reader","reader_agreement_basis":"derived_from_readers","reader_agreement_label":"confirmed (two or more readers)","reader_tier":"preliminary_flash+claude","readers":["claude-opus-5.5","gemini-3.8-flash"],"record_kind":"invariant_table","source_system":"AL-CA","system":"CA","temperature_K":1114.9,"temperature_printed":"1,114.90","temperature_uncertainty":{"basis":"stated_default","value":2.0},"tool_release":"v2.1.19p","transition_kind":"congruent melting","transition_kind_printed":"Melting","uncertainty_budget":{"calibration":"orchid-uncertainty-calibration 2026-10-24 (audit round 2) sha256 6a2b5a92b0ec","quantities":{"composition":{"sigma_composition":null,"sigma_conversion":null,"sigma_effective":0.05,"sigma_method":{"basis":"calibrated","ci95":[0.010484,0.011532],"class":"unknown","entry":"value_types/X_PHASE/classes/unknown","floor":0.011,"floor_unit":"mole fraction","n_pairs":3014,"value":0.011},"sigma_printed":null,"sigma_reading":{"basis":"last_stored_digit","value":0.05},"sigma_scatter":null,"unit":"mole fraction","value_type":"X_PHASE"},"value":{"sigma_composition":null,"sigma_conversion":null,"sigma_effective":16.0,"sigma_method":{"basis":"calibrated","ci95":[10.483565,26.208913],"class":"unknown","entry":"value_types/T_TRANSITION/classes/unknown","floor":16.0,"floor_unit":"K","n_pairs":274,"value":16.0},"sigma_printed":null,"sigma_reading":{"basis":"last_printed_digit","value":0.05},"sigma_scatter":null,"unit":"K","value_type":"T_TRANSITION"}},"sigma_rule":"max(sqrt(max(printed, reading, method)^2 + composition^2 + conversion^2), scatter)"},"unit":"K","value":1114.9},{"chemical_system":"CA","cited_sources":[{"kind":"unknown","label":"28","status":"unresolved"}],"conditions":{"kind":"cited_source","note":"conditions in the cited source"},"corrections":[{"after":"CA","before":"AL-CA","evidence":{"basis":"every_phase_determined","overall_composition":null,"phases":["L","Ca-bcc"]},"field":"system","gate":"A1","rule":"system_of_the_state"}],"evidence_class":"unspecified","flags":{"calphad_check":"not_available","espei_certified":false,"espei_ready":false,"extraction_accepted":true,"review_state":"extracted","row_state":"settled","source_disputed":true,"state_fully_specified":true,"system_is_state_subsystem":true},"fold_lpo":4,"fold_lso":0,"id":"ORC-2HJR5BUTWG","locator":{"ref":"doi:10.1179/cmq.2005.44.4.523/p8/tab-iv","row":5},"observation_type":"phase_transition","origin":{"basis":"no_printed_or_resolvable_source_kind","class":"unspecified","measured_in":"unresolved:source:doi:10-1179-cmq-2005-44-4-523#28","measured_in_basis":"cited_work","own_work_of_paper":false},"paper":"doi:10.1179/cmq.2005.44.4.523","paper_id":"doi:10.1179/cmq.2005.44.4.523","phase_compositions":[{"basis":"mole_fraction","composition":{"CA":1.0},"composition_source":"printed","phase":"L"}],"phases":[{"label":"L","mapping_confidence":"confirmed","model_phase":"LIQUID"},{"label":"Ca-bcc","mapping_confidence":"confirmed","model_phase":"BCC_A2","pearson_symbol":"cI2","prototype":"W","structure_basis":"mapped_model_phase"}],"pid":"doi:10.1179/cmq.2005.44.4.523/p8/tab-iv/r-unplaced-de81f461#transition","pressure_Pa":101325,"pressure_basis":"assumed_default_1_atm_not_printed","pressure_basis_stored":"stated_default_1_atm","property":"TRANSITION_TEMPERATURE","property_group":"phase transition","reaction":{"printed":"L -> Ca-bcc","type":"congruent melting"},"reader_agreement":"multi_reader","reader_agreement_basis":"derived_from_readers","reader_agreement_label":"confirmed (two or more readers)","reader_tier":"preliminary_flash+claude","readers":["claude-opus-5.5","gemini-3.8-flash"],"record_kind":"invariant_table","source_system":"AL-CA","system":"CA","temperature_K":1116.66,"temperature_printed":"1,116.66","temperature_uncertainty":{"basis":"stated_default","value":2.0},"tool_release":"v2.1.19p","transition_kind":"congruent melting","transition_kind_printed":"Melting","uncertainty_budget":{"calibration":"orchid-uncertainty-calibration 2026-10-24 (audit round 2) sha256 6a2b5a92b0ec","quantities":{"composition":{"sigma_composition":null,"sigma_conversion":null,"sigma_effective":0.05,"sigma_method":{"basis":"calibrated","ci95":[0.010484,0.011532],"class":"unknown","entry":"value_types/X_PHASE/classes/unknown","floor":0.011,"floor_unit":"mole fraction","n_pairs":3014,"value":0.011},"sigma_printed":null,"sigma_reading":{"basis":"last_stored_digit","value":0.05},"sigma_scatter":null,"unit":"mole fraction","value_type":"X_PHASE"},"value":{"sigma_composition":null,"sigma_conversion":null,"sigma_effective":16.0,"sigma_method":{"basis":"calibrated","ci95":[10.483565,26.208913],"class":"unknown","entry":"value_types/T_TRANSITION/classes/unknown","floor":16.0,"floor_unit":"K","n_pairs":274,"value":16.0},"sigma_printed":null,"sigma_reading":{"basis":"last_printed_digit","value":0.005},"sigma_scatter":null,"unit":"K","value_type":"T_TRANSITION"}},"sigma_rule":"max(sqrt(max(printed, reading, method)^2 + composition^2 + conversion^2), scatter)"},"unit":"K","value":1116.66},{"chemical_system":"CA","conditions":{"kind":"not_applicable_own_calculation"},"corrections":[{"after":"CA","before":"AL-CA","evidence":{"basis":"every_phase_determined","overall_composition":null,"phases":["L","Ca-bcc"]},"field":"system","gate":"A1","rule":"system_of_the_state"}],"evidence_class":"model","flags":{"calphad_check":"not_available","espei_certified":false,"espei_ready":false,"extraction_accepted":true,"review_state":"extracted","row_state":"settled","state_fully_specified":true,"system_is_state_subsystem":true},"fold_lpo":4,"fold_lso":0,"id":"ORC-FPVFXPWZMB","locator":{"ref":"doi:10.1179/cmq.2005.44.4.523/p8/tab-iv","row":6},"model":"M6ba35d7c","observation_type":"phase_transition","origin":{"basis":"this_work+paper_text_states_calculated","class":"model_value","measured_in":"doi:10.1179/cmq.2005.44.4.523","measured_in_basis":"reporting_paper_own_value","own_work_of_paper":true},"paper":"doi:10.1179/cmq.2005.44.4.523","paper_id":"doi:10.1179/cmq.2005.44.4.523","phase_compositions":[{"basis":"mole_fraction","composition":{"CA":1.0},"composition_source":"printed","phase":"L"}],"phases":[{"label":"L","mapping_confidence":"confirmed","model_phase":"LIQUID"},{"label":"Ca-bcc","mapping_confidence":"confirmed","model_phase":"BCC_A2","pearson_symbol":"cI2","prototype":"W","structure_basis":"mapped_model_phase"}],"pid":"doi:10.1179/cmq.2005.44.4.523/p8/tab-iv/r-unplaced-edc3689d#transition","pressure_Pa":101325,"pressure_basis":"assumed_default_1_atm_not_printed","pressure_basis_stored":"stated_default_1_atm","property":"TRANSITION_TEMPERATURE","property_group":"phase transition","reaction":{"printed":"L -> Ca-bcc","type":"congruent melting"},"reader_agreement":"multi_reader","reader_agreement_basis":"derived_from_readers","reader_agreement_label":"confirmed (two or more readers)","reader_tier":"preliminary_flash+claude","readers":["claude-opus-5.5","gemini-3.8-flash"],"record_kind":"invariant_table","source_system":"AL-CA","system":"CA","temperature_K":1115.0,"temperature_printed":"1,115.00","temperature_uncertainty":{"basis":"stated_default","value":2.0},"tool_release":"v2.1.19p","transition_kind":"congruent melting","transition_kind_printed":"Melting","uncertainty_budget":{"calibration":"orchid-uncertainty-calibration 2026-10-24 (audit round 2) sha256 6a2b5a92b0ec","quantities":{"composition":{"sigma_composition":null,"sigma_conversion":null,"sigma_effective":0.05,"sigma_method":{"basis":"calibrated","ci95":[0.004448,0.004448],"class":"model_calculated","entry":"model/X_PHASE","floor":0.005,"floor_unit":"mole fraction","n_pairs":16730,"value":0.005},"sigma_printed":null,"sigma_reading":{"basis":"last_stored_digit","value":0.05},"sigma_scatter":null,"unit":"mole fraction","value_type":"X_PHASE"},"value":{"sigma_composition":null,"sigma_conversion":null,"sigma_effective":10.0,"sigma_method":{"basis":"prior","ci95":null,"class":"model_calculated","entry":"model/T_TRANSITION","floor":10.0,"floor_unit":"K","n_pairs":129,"value":10.0},"sigma_printed":null,"sigma_reading":{"basis":"last_printed_digit","value":0.05},"sigma_scatter":null,"unit":"K","value_type":"T_TRANSITION"}},"sigma_rule":"max(sqrt(max(printed, reading, method)^2 + composition^2 + conversion^2), scatter)"},"unit":"K","value":1115.0},{"chemical_system":"CA","cited_sources":[{"kind":"unknown","label":"26","status":"unresolved"}],"conditions":{"kind":"cited_source","note":"conditions in the cited source"},"corrections":[{"after":"CA","before":"AL-CA","evidence":{"basis":"every_phase_determined","overall_composition":null,"phases":["Ca-fcc","Ca-bcc"]},"field":"system","gate":"A1","rule":"system_of_the_state"}],"evidence_class":"unspecified","flags":{"calphad_check":"agrees","espei_certified":false,"espei_ready":false,"extraction_accepted":true,"plausibility":{"calculation":"pure CA transition temperatures","dT_K":-0.1,"model":"SGTE unary 5.0 (unary50_bengt.tdb)","result":"pass","tolerance":{"dT_K":25.0}},"review_state":"extracted","row_state":"settled","source_disputed":true,"state_fully_specified":true,"system_is_state_subsystem":true},"fold_lpo":4,"fold_lso":0,"id":"ORC-UR44NRM3ZK","locator":{"ref":"doi:10.1179/cmq.2005.44.4.523/p8/tab-iv","row":7},"observation_type":"phase_transition","origin":{"basis":"no_printed_or_resolvable_source_kind","class":"unspecified","measured_in":"unresolved:source:doi:10-1179-cmq-2005-44-4-523#26","measured_in_basis":"cited_work","own_work_of_paper":false},"paper":"doi:10.1179/cmq.2005.44.4.523","paper_id":"doi:10.1179/cmq.2005.44.4.523","phase_compositions":[{"basis":"mole_fraction","composition":{"CA":1.0},"composition_source":"printed","phase":"Ca-fcc"}],"phases":[{"label":"Ca-fcc","mapping_confidence":"confirmed","model_phase":"FCC_A1","pearson_symbol":"cF4","prototype":"Cu","structure_basis":"mapped_model_phase"},{"label":"Ca-bcc","mapping_confidence":"confirmed","model_phase":"BCC_A2","pearson_symbol":"cI2","prototype":"W","structure_basis":"mapped_model_phase"}],"pid":"doi:10.1179/cmq.2005.44.4.523/p8/tab-iv/r03#transition","pressure_Pa":101325,"pressure_basis":"assumed_default_1_atm_not_printed","pressure_basis_stored":"stated_default_1_atm","property":"TRANSITION_TEMPERATURE","property_group":"phase transition","reaction":{"printed":"Ca-fcc -> Ca-bcc","type":"polymorphic"},"reader_agreement":"multi_reader","reader_agreement_basis":"derived_from_readers","reader_agreement_label":"confirmed (two or more readers)","reader_tier":"preliminary_flash+claude","readers":["claude-opus-5.5","gemini-3.8-flash","text_layer"],"record_kind":"invariant_table","source_system":"AL-CA","system":"CA","temperature_K":715.9,"temperature_printed":"715.9","temperature_uncertainty":{"basis":"stated_default","value":2.0},"tool_release":"v2.1.19p","transition_kind":"polymorphic","transition_kind_printed":"Allotropic","uncertainty_budget":{"calibration":"orchid-uncertainty-calibration 2026-10-24 (audit round 2) sha256 6a2b5a92b0ec","quantities":{"composition":{"sigma_composition":null,"sigma_conversion":null,"sigma_effective":0.05,"sigma_method":{"basis":"calibrated","ci95":[0.010484,0.011532],"class":"unknown","entry":"value_types/X_PHASE/classes/unknown","floor":0.011,"floor_unit":"mole fraction","n_pairs":3014,"value":0.011},"sigma_printed":null,"sigma_reading":{"basis":"last_stored_digit","value":0.05},"sigma_scatter":null,"unit":"mole fraction","value_type":"X_PHASE"},"value":{"sigma_composition":null,"sigma_conversion":null,"sigma_effective":16.0,"sigma_method":{"basis":"calibrated","ci95":[10.483565,26.208913],"class":"unknown","entry":"value_types/T_TRANSITION/classes/unknown","floor":16.0,"floor_unit":"K","n_pairs":274,"value":16.0},"sigma_printed":null,"sigma_reading":{"basis":"last_printed_digit","value":0.05},"sigma_scatter":null,"unit":"K","value_type":"T_TRANSITION"}},"sigma_rule":"max(sqrt(max(printed, reading, method)^2 + composition^2 + conversion^2), scatter)"},"unit":"K","value":715.9},{"chemical_system":"CA","cited_sources":[{"kind":"unknown","label":"28","status":"unresolved"}],"conditions":{"kind":"cited_source","note":"conditions in the cited source"},"corrections":[{"after":"CA","before":"AL-CA","evidence":{"basis":"every_phase_determined","overall_composition":null,"phases":["Ca-fcc","Ca-bcc"]},"field":"system","gate":"A1","rule":"system_of_the_state"}],"evidence_class":"unspecified","flags":{"calphad_check":"agrees","espei_certified":false,"espei_ready":false,"extraction_accepted":true,"plausibility":{"calculation":"pure CA transition temperatures","dT_K":-1.72,"model":"SGTE unary 5.0 (unary50_bengt.tdb)","result":"pass","tolerance":{"dT_K":25.0}},"review_state":"extracted","row_state":"settled","source_disputed":true,"state_fully_specified":true,"system_is_state_subsystem":true},"fold_lpo":4,"fold_lso":0,"id":"ORC-2O2NN6WVOX","locator":{"ref":"doi:10.1179/cmq.2005.44.4.523/p8/tab-iv","row":8},"observation_type":"phase_transition","origin":{"basis":"no_printed_or_resolvable_source_kind","class":"unspecified","measured_in":"unresolved:source:doi:10-1179-cmq-2005-44-4-523#28","measured_in_basis":"cited_work","own_work_of_paper":false},"paper":"doi:10.1179/cmq.2005.44.4.523","paper_id":"doi:10.1179/cmq.2005.44.4.523","phase_compositions":[{"basis":"mole_fraction","composition":{"CA":1.0},"composition_source":"printed","phase":"Ca-fcc"}],"phases":[{"label":"Ca-fcc","mapping_confidence":"confirmed","model_phase":"FCC_A1","pearson_symbol":"cF4","prototype":"Cu","structure_basis":"mapped_model_phase"},{"label":"Ca-bcc","mapping_confidence":"confirmed","model_phase":"BCC_A2","pearson_symbol":"cI2","prototype":"W","structure_basis":"mapped_model_phase"}],"pid":"doi:10.1179/cmq.2005.44.4.523/p8/tab-iv/r04#transition","pressure_Pa":101325,"pressure_basis":"assumed_default_1_atm_not_printed","pressure_basis_stored":"stated_default_1_atm","property":"TRANSITION_TEMPERATURE","property_group":"phase transition","reaction":{"printed":"Ca-fcc -> Ca-bcc","type":"polymorphic"},"reader_agreement":"multi_reader","reader_agreement_basis":"derived_from_readers","reader_agreement_label":"confirmed (two or more readers)","reader_tier":"preliminary_flash+claude","readers":["claude-opus-5.5","gemini-3.8-flash","text_layer"],"record_kind":"invariant_table","source_system":"AL-CA","system":"CA","temperature_K":714.28,"temperature_printed":"714.28","temperature_uncertainty":{"basis":"stated_default","value":2.0},"tool_release":"v2.1.19p","transition_kind":"polymorphic","transition_kind_printed":"Allotropic","uncertainty_budget":{"calibration":"orchid-uncertainty-calibration 2026-10-24 (audit round 2) sha256 6a2b5a92b0ec","quantities":{"composition":{"sigma_composition":null,"sigma_conversion":null,"sigma_effective":0.05,"sigma_method":{"basis":"calibrated","ci95":[0.010484,0.011532],"class":"unknown","entry":"value_types/X_PHASE/classes/unknown","floor":0.011,"floor_unit":"mole fraction","n_pairs":3014,"value":0.011},"sigma_printed":null,"sigma_reading":{"basis":"last_stored_digit","value":0.05},"sigma_scatter":null,"unit":"mole fraction","value_type":"X_PHASE"},"value":{"sigma_composition":null,"sigma_conversion":null,"sigma_effective":16.0,"sigma_method":{"basis":"calibrated","ci95":[10.483565,26.208913],"class":"unknown","entry":"value_types/T_TRANSITION/classes/unknown","floor":16.0,"floor_unit":"K","n_pairs":274,"value":16.0},"sigma_printed":null,"sigma_reading":{"basis":"last_printed_digit","value":0.005},"sigma_scatter":null,"unit":"K","value_type":"T_TRANSITION"}},"sigma_rule":"max(sqrt(max(printed, reading, method)^2 + composition^2 + conversion^2), scatter)"},"unit":"K","value":714.28},{"chemical_system":"CA","conditions":{"kind":"not_applicable_own_calculation"},"corrections":[{"after":"CA","before":"AL-CA","evidence":{"basis":"every_phase_determined","overall_composition":null,"phases":["Ca-fcc","Ca-bcc"]},"field":"system","gate":"A1","rule":"system_of_the_state"}],"evidence_class":"model","flags":{"calphad_check":"agrees","espei_certified":false,"espei_ready":false,"extraction_accepted":true,"plausibility":{"calculation":"pure CA transition temperatures","dT_K":-0.1,"model":"SGTE unary 5.0 (unary50_bengt.tdb)","result":"pass","tolerance":{"dT_K":25.0}},"review_state":"extracted","row_state":"settled","state_fully_specified":true,"system_is_state_subsystem":true},"fold_lpo":4,"fold_lso":0,"id":"ORC-O2BCGA3Q6Z","locator":{"ref":"doi:10.1179/cmq.2005.44.4.523/p8/tab-iv","row":9},"model":"M6ba35d7c","observation_type":"phase_transition","origin":{"basis":"this_work+paper_text_states_calculated","class":"model_value","measured_in":"doi:10.1179/cmq.2005.44.4.523","measured_in_basis":"reporting_paper_own_value","own_work_of_paper":true},"paper":"doi:10.1179/cmq.2005.44.4.523","paper_id":"doi:10.1179/cmq.2005.44.4.523","phase_compositions":[{"basis":"mole_fraction","composition":{"CA":1.0},"composition_source":"printed","phase":"Ca-fcc"}],"phases":[{"label":"Ca-fcc","mapping_confidence":"confirmed","model_phase":"FCC_A1","pearson_symbol":"cF4","prototype":"Cu","structure_basis":"mapped_model_phase"},{"label":"Ca-bcc","mapping_confidence":"confirmed","model_phase":"BCC_A2","pearson_symbol":"cI2","prototype":"W","structure_basis":"mapped_model_phase"}],"pid":"doi:10.1179/cmq.2005.44.4.523/p8/tab-iv/r05#transition","pressure_Pa":101325,"pressure_basis":"assumed_default_1_atm_not_printed","pressure_basis_stored":"stated_default_1_atm","property":"TRANSITION_TEMPERATURE","property_group":"phase transition","reaction":{"printed":"Ca-fcc -> Ca-bcc","type":"polymorphic"},"reader_agreement":"multi_reader","reader_agreement_basis":"derived_from_readers","reader_agreement_label":"confirmed (two or more readers)","reader_tier":"preliminary_flash+claude","readers":["claude-opus-5.5","gemini-3.8-flash","text_layer"],"record_kind":"invariant_table","source_system":"AL-CA","system":"CA","temperature_K":715.9,"temperature_printed":"715.90","temperature_uncertainty":{"basis":"stated_default","value":2.0},"tool_release":"v2.1.19p","transition_kind":"polymorphic","transition_kind_printed":"Allotropic","uncertainty_budget":{"calibration":"orchid-uncertainty-calibration 2026-10-24 (audit round 2) sha256 6a2b5a92b0ec","quantities":{"composition":{"sigma_composition":null,"sigma_conversion":null,"sigma_effective":0.05,"sigma_method":{"basis":"calibrated","ci95":[0.004448,0.004448],"class":"model_calculated","entry":"model/X_PHASE","floor":0.005,"floor_unit":"mole fraction","n_pairs":16730,"value":0.005},"sigma_printed":null,"sigma_reading":{"basis":"last_stored_digit","value":0.05},"sigma_scatter":null,"unit":"mole fraction","value_type":"X_PHASE"},"value":{"sigma_composition":null,"sigma_conversion":null,"sigma_effective":10.0,"sigma_method":{"basis":"prior","ci95":null,"class":"model_calculated","entry":"model/T_TRANSITION","floor":10.0,"floor_unit":"K","n_pairs":129,"value":10.0},"sigma_printed":null,"sigma_reading":{"basis":"last_printed_digit","value":0.05},"sigma_scatter":null,"unit":"K","value_type":"T_TRANSITION"}},"sigma_rule":"max(sqrt(max(printed, reading, method)^2 + composition^2 + conversion^2), scatter)"},"unit":"K","value":715.9},{"chemical_system":"CA","conditions":{"kind":"paper_context_not_extracted","paper":"doi:10.1016/s0364-5916(96)00022-3"},"corrections":[{"after":"CA","before":"CA-CU","evidence":{"basis":"every_phase_determined","overall_composition":null,"phases":["Ca"]},"field":"system","gate":"A1","rule":"system_of_the_state"}],"evidence_class":"experimental","flags":{"calphad_check":"not_available","dropped_field_count":3,"espei_certified":false,"espei_ready":false,"extraction_accepted":true,"has_dropped_fields":true,"review_state":"extracted","second_reader":"done","system_is_state_subsystem":true,"value_in_quote":true},"fold_lpo":2,"fold_lso":0,"id":"ORC-VAFNIQPB3L","link_rule":"quote verbatim on one page/passage + printed value inside quote","locator":{"ref":"doi:10.1016/s0364-5916(96)00022-3/p2/text-19"},"observation_type":"phase_transition","origin":{"attribution_note":"no printed citation: the paper's own statement","class":"experimental","measured_in":"doi:10.1016/s0364-5916(96)00022-3","own_work_of_paper":true},"paper":"doi:10.1016/s0364-5916(96)00022-3","paper_id":"doi:10.1016/s0364-5916(96)00022-3","phases":[{"label":"Ca"}],"pid":"doi:10.1016/s0364-5916(96)00022-3/p2/text-19/s27#phase_transition","pressure_Pa":101325,"pressure_basis":"assumed_default_1_atm_not_printed","pressure_basis_stored":"stated_default_1_atm","property":"TRANSITION_TEMPERATURE","property_group":"phase transition","quote":"Bruzzone reports that the ,0Ca to &a transition in equilibrium with CasCu occurs at 728 K, which is 12 K higher than the value for pure Ca used in this work [SlDin].","quote_page":2,"reader_agreement":"multi_reader","reader_agreement_basis":"derived_from_readers","reader_agreement_label":"confirmed (two or more readers)","reader_tier":"preliminary_flash","readers":["claude-opus-5.5","gemini-3.8-flash"],"record_kind":"running_text","source_system":"CA-CU","system":"CA","temperature_K":728.0,"temperature_printed":"728 K","tool_release":"release v2 + tools dev copy record build","uncertainty_budget":{"calibration":"orchid-uncertainty-calibration 2026-10-24 (audit round 2) sha256 6a2b5a92b0ec","quantities":{"value":{"sigma_composition":null,"sigma_conversion":null,"sigma_effective":16.0,"sigma_method":{"basis":"calibrated","ci95":[10.483565,26.208913],"class":"unknown","entry":"value_types/T_TRANSITION/classes/unknown","floor":16.0,"floor_unit":"K","n_pairs":274,"value":16.0},"sigma_printed":null,"sigma_reading":{"basis":"last_printed_digit","value":0.05},"sigma_scatter":null,"unit":"K","value_type":"T_TRANSITION"}},"sigma_rule":"max(sqrt(max(printed, reading, method)^2 + composition^2 + conversion^2), scatter)"},"unit":"K","value":728.0}],"release":"orchid-literature 2026-10-23 (record store db-v2.1: invariant/general v2.1.19r, text+context fixup-20261022)","system":"CA"}