{"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/s11669-019-00714-2/p2/tab-1":{"artifact":"table","caption":"The crystal structure data of Al-Ba system","label":"1","page":2},"doi:10.1016/j.jallcom.2006.03.096/p2/tab-2":{"artifact":"table","caption":"Enthalpy of mixing �H (J/mol), equilibrium lattice parameters a (Å) and c/a ratio for Ba–Ti system obtained from first-principles calculations using SQS","label":"2","page":2},"doi:10.1016/j.jallcom.2018.08.324/p4/tab-1":{"artifact":"table","caption":"Lattice parameters from first-principles calculations using PBE compared with experimental values.","label":"1","page":4},"doi:10.1016/j.jallcom.2018.08.324/p4/tab-2":{"artifact":"table","caption":"Equilibrium volume (V 0 , Å 3 /atom), energy (E 0 , kJ/mol-atom), bulk modulus B 0 (GPa), and the first derivative of bulk modulus with respect to pressure (B 0 ) from the energy- volume EOS fitting at 0 K using PBE compared to experimental work and the previous DFT studies.","label":"2","page":4},"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: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":{"doi:10.1016/j.jallcom.2018.08.324":{"context_id":"context:source-doi-10-1016-j-jallcom-2018-08-324","items":[{"applies_to":"arc-melted Ba-Bi alloys","extraction_accepted":true,"has_dropped_fields":true,"id":"ORC-7UNPLBO5IE","instrument":"Perkin-Elmer Optima 5300DV","page":3,"quote":"Chemical composition of the arc-melted Ba-Bi alloys were verified using inductively coupled plasma-atomic emission spectroscopy (ICP-AES, Perkin-Elmer Optima 5300DV) with a precision","second_reader_agrees":true,"type":"measurement"},{"applies_to":"Ba-Bi alloy with xBa 1⁄4 0.90","extraction_accepted":false,"id":"ORC-MCAVKLTTTY","method":"XRD","page":3,"quote":"XRD measurements were performed on a Ba-Bi alloy with xBa 1⁄4 0.90 to elucidate the peritectoid reaction Ba5Bi3 þ bcc (Ba) / Ba2Bi.","second_reader_agrees":false,"type":"measurement"},{"extraction_accepted":false,"has_dropped_fields":true,"id":"ORC-S3XQU3PZQE","page":3,"quote":"This alloy was fabricated by an arc melter (MAM1, Edmund Bühler GmbH) using the appropriate weighed amounts of barium (99.2%, Alfa Aesar, Stock No. 00653) and bismuth (99.999%, Sigma Aldrich, Stock No. 556130).","second_reader_agrees":false,"starting_materials":"barium (99.2%, Alfa Aesar, Stock No. 00653) and bismuth (99.999%, Sigma Aldrich, Stock No. 556130)","synthesis":"fabricated by an arc melter (MAM1, Edmund Bühler GmbH)","type":"sample"},{"duration":"168 h","duration_parsed":{"hours":168.0,"printed":"168 h"},"extraction_accepted":true,"has_dropped_fields":true,"id":"ORC-QZZAH6G3YA","page":3,"quote":"After melting the pieces into a homogenous alloy, the sample was split in half and transferred to a glovebox (O2 < 0.5 ppm and H2O < 1.5 ppm) for 168 h of annealing under argon. One half was annealed at 773 K (below the proposed transition) and the other half was annealed at 858 K (above the proposed transition).","second_reader_agrees":true,"temperature":{"T_K":773.0,"converted_in_code":false,"printed":"773 K","unit_basis":"printed_with_value","unit_printed":"K","value_printed":773.0},"temperature_printed":"773 K","temperature_status":"parsed_from_printed","type":"treatment"},{"duration":"168 h","duration_parsed":{"hours":168.0,"printed":"168 h"},"extraction_accepted":true,"has_dropped_fields":true,"id":"ORC-QZZAH6G3YA","page":3,"quote":"After melting the pieces into a homogenous alloy, the sample was split in half and transferred to a glovebox (O2 < 0.5 ppm and H2O < 1.5 ppm) for 168 h of annealing under argon. One half was annealed at 773 K (below the proposed transition) and the other half was annealed at 858 K (above the proposed transition).","second_reader_agrees":true,"temperature":{"T_K":858.0,"converted_in_code":false,"printed":"858 K","unit_basis":"printed_with_value","unit_printed":"K","value_printed":858.0},"temperature_printed":"858 K","temperature_status":"parsed_from_printed","type":"treatment"}],"paper":"doi:10.1016/j.jallcom.2018.08.324","reader_tier":"preliminary_flash","readers":["gemini-3.8-flash / exp-context-v2.1-quote","claude-opus-5.5 / exp-context-v2.1-quote (claude broker)"],"section_basis":"own_work_method_cues"}},"elements":["BA"],"licence":"CC BY 4.0 (ORCHID data; quotes are short excerpts kept for verification, the publishers' copyright, not relicensed)","models":{"M04a0352e":{"catalog_entry":{"license":"CC BY 4.0","name":"BaBi-19Liu.tdb","source_url":"https://doi.org/10.1016/j.calphad.2025.102833","tier":"bundled"},"link_basis":"reporting_paper_own_model (TDB header cites this paper)","model_citation":"Z.-K. Liu, J. Alloys Compd., 771, 281-89(2019).","model_doi":"10.1016/j.jallcom.2018.08.324","tdb":"BaBi-19Liu.tdb","tdb_path":"databases/sgte-binary/BaBi-19Liu.tdb","tdb_sha256":"3c64df6c937285192a70f8c238e7ab0ce90fc7ad140d3816f7273e56dcd395e1"}},"note":"records[].locator.ref -> artifacts; records[].model -> models (full records: orchid-literature.jsonl.gz)","papers":{"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/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/s11669-019-00714-2":{"authors":["R. Benhafid","A. Belgacem Bouzida","Y. Djaballah","A. Candan","A. İyigör","G. Uğur"],"citation":"R. Benhafid, A. Belgacem Bouzida, Y. Djaballah, A. Candan, A. İyigör, G. Uğur, Thermodynamic Modeling of the Al-Ba and Ba-Ge Systems Supported by First-Principles Calculations, J. Phase Equilib. Diffus. 40, 195-205 (2019).","container":"J. Phase Equilib. Diffus.","doi":"10.1007/s11669-019-00714-2","doi_url":"https://doi.org/10.1007/s11669-019-00714-2","id":"doi:10.1007/s11669-019-00714-2","kind":"corpus_paper","metadata_source":"crossref","pdf_sha256_prefix":"41ca11e56c9eee28","roles":["reporting_paper"],"source_kinds":["journal_article"],"title":"Thermodynamic Modeling of the Al-Ba and Ba-Ge Systems Supported by First-Principles Calculations","year":2019},"doi:10.1016/0925-8388(92)90586-x":{"authors":["Jürgen Evers","Gilbert Oehlinger","Bernd Sendlinger","Armin Weiss","Manfred Schmidt","Peter Schramel"],"citation":"Jürgen Evers, Gilbert Oehlinger, Bernd Sendlinger, Armin Weiss, Manfred Schmidt, Peter Schramel, Lattice parameter of a high purity barium wire extruded in ultrahigh vacuum, Journal of Alloys and Compounds 182, 175-187 (1992).","container":"Journal of Alloys and Compounds","doi":"10.1016/0925-8388(92)90586-x","doi_url":"https://doi.org/10.1016/0925-8388(92)90586-x","id":"doi:10.1016/0925-8388(92)90586-x","kind":"cited_work","metadata_source":"crossref","roles":["cited_source"],"source_kinds":["cited_work"],"title":"Lattice parameter of a high purity barium wire extruded in ultrahigh vacuum","year":1992},"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.jallcom.2006.03.096":{"authors":["Shunli Shang","Zhi-Jie Liu","Zi-Kui Liu"],"citation":"Shunli Shang, Zhi-Jie Liu, Zi-Kui Liu, Thermodynamic modeling of the Ba–Ni–Ti system, Journal of Alloys and Compounds 430, 188-193 (2007).","container":"Journal of Alloys and Compounds","doi":"10.1016/j.jallcom.2006.03.096","doi_url":"https://doi.org/10.1016/j.jallcom.2006.03.096","id":"doi:10.1016/j.jallcom.2006.03.096","kind":"corpus_paper","metadata_source":"crossref","pdf_sha256_prefix":"49b672c4721851fc","roles":["reporting_paper"],"source_kinds":["journal_article"],"title":"Thermodynamic modeling of the Ba–Ni–Ti system","year":2007},"doi:10.1016/j.jallcom.2018.08.324":{"authors":["Jinming Liu","Pin-Wen Guan","Cassie N. Marker","Nathan D. Smith","Nicole Orabona","Shun-Li Shang","Hojong Kim","Zi-Kui Liu"],"citation":"Jinming Liu, Pin-Wen Guan, Cassie N. Marker, Nathan D. Smith, Nicole Orabona, Shun-Li Shang et al., Thermodynamic properties and phase stability of the Ba-Bi system: A combined computational and experimental study, Journal of Alloys and Compounds 771, 281-289 (2019).","container":"Journal of Alloys and Compounds","doi":"10.1016/j.jallcom.2018.08.324","doi_url":"https://doi.org/10.1016/j.jallcom.2018.08.324","id":"doi:10.1016/j.jallcom.2018.08.324","kind":"corpus_paper","metadata_source":"crossref","pdf_sha256_prefix":"5663c7189392375c","roles":["reporting_paper"],"source_kinds":["journal_article"],"title":"Thermodynamic properties and phase stability of the Ba-Bi system: A combined computational and experimental study","year":2019},"doi:10.1021/j150537a011":{"authors":["R. G. Hirst","A. J. King","F. A. Kanda"],"citation":"R. G. Hirst, A. J. King, F. A. Kanda, The Barium–Strontium Equilibrium System, J. Phys. Chem. 60, 302-304 (1956).","container":"J. Phys. Chem.","doi":"10.1021/j150537a011","doi_url":"https://doi.org/10.1021/j150537a011","id":"doi:10.1021/j150537a011","kind":"cited_work","metadata_source":"crossref","roles":["cited_source"],"source_kinds":["cited_work"],"title":"The Barium–Strontium Equilibrium System","year":1956},"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}},"part":1,"parts":1,"records":[{"chemical_system":"BA","cited_sources":[{"kind":"unknown","label":"1","status":"unresolved"}],"conditions":{"kind":"cited_source","note":"conditions in the cited source"},"corrections":[{"after":"BA","before":"BA-CA","evidence":{"basis":"printed_overall_composition","overall_composition":{"BA":1.0,"CA":0.0},"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-XA64SQ3LNS","locator":{"ref":"doi:10.1007/bf02873004/p2/tab-1","row":4},"observation_type":"structural_property","origin":{"basis":"no_printed_or_resolvable_source_kind","class":"unspecified","own_work_of_paper":false},"overall_composition":{"BA":1.0},"overall_composition_stored":{"BA":1.0,"CA":0.0},"paper":"doi:10.1007/bf02873004","paper_id":"doi:10.1007/bf02873004","phase_compositions":[{"basis":"mole_fraction (converted from atomic percent)","composition":{"BA":1.0},"composition_source":"printed","composition_stored":{"BA":1.0,"CA":0.0},"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/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":"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":"BA","temperature_K":298.15,"temperature_basis":"printed","temperature_printed":"25","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":{"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":0.001105,"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":0.001105},"sigma_printed":null,"sigma_reading":{"basis":"last_printed_digit","value":5e-05},"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":0.5023},{"chemical_system":"BA","cited_sources":[{"doi":"10.1021/j150537a011","first_author":"Hirst","kind":"unknown","label":"16","paper":"doi:10.1021/j150537a011","reference":"R. Hirst, A. King, and F. Kanda, The Barium-Strontium Equilibrium System, J. Phys. Chem., 1956, 60, p 302-304","status":"resolved","year":"1956"}],"conditions":{"kind":"cited_source","note":"conditions in the cited source"},"corrections":[{"after":"BA","before":"AL-BA","evidence":{"basis":"phase_formula","overall_composition":null,"phases":["(Ba)"]},"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":1,"fold_lso":0,"id":"ORC-PYJOZCXBIV.dea7be","locator":{"ref":"doi:10.1007/s11669-019-00714-2/p2/tab-1","row":11},"observation_type":"structural_property","origin":{"basis":"cited_work_before_1980_assumed_experimental","class":"experimental","own_work_of_paper":false},"paper":"doi:10.1007/s11669-019-00714-2","paper_id":"doi:10.1007/s11669-019-00714-2","phase_compositions":[{"basis":"mole_fraction","composition":{"BA":1.0},"composition_source":"printed","composition_stored":{"AL":0.0,"BA":1.0},"phase":"(Ba)"}],"phases":[{"label":"(Ba)"}],"pid":"doi:10.1007/s11669-019-00714-2/p2/tab-1/r11#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-BA","structure":{"pearson_symbol":"cI2","prototype":"W","space_group_number":229},"system":"BA","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":{"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":0.01103,"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":0.01103},"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":5.013,"value_stored":0.5013},{"chemical_system":"BA","cited_sources":[{"doi":"10.1021/j150537a011","first_author":"Hirst","kind":"unknown","label":"16","paper":"doi:10.1021/j150537a011","reference":"R. Hirst, A. King, and F. Kanda, The Barium-Strontium Equilibrium System, J. Phys. Chem., 1956, 60, p 302-304","status":"resolved","year":"1956"}],"conditions":{"kind":"cited_source","note":"conditions in the cited source"},"corrections":[{"after":"BA","before":"AL-BA","evidence":{"basis":"phase_formula","overall_composition":null,"phases":["(Ba)"]},"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":1,"fold_lso":0,"id":"ORC-PYJOZCXBIV.df6926","locator":{"ref":"doi:10.1007/s11669-019-00714-2/p2/tab-1","row":11},"observation_type":"structural_property","origin":{"basis":"cited_work_before_1980_assumed_experimental","class":"experimental","own_work_of_paper":false},"paper":"doi:10.1007/s11669-019-00714-2","paper_id":"doi:10.1007/s11669-019-00714-2","phase_compositions":[{"basis":"mole_fraction","composition":{"BA":1.0},"composition_source":"printed","composition_stored":{"AL":0.0,"BA":1.0},"phase":"(Ba)"}],"phases":[{"label":"(Ba)"}],"pid":"doi:10.1007/s11669-019-00714-2/p2/tab-1/r11#structural_property","pressure_Pa":101325,"pressure_basis":"assumed_default_1_atm_not_printed","pressure_basis_stored":"unstated_assumed","property":"LATTICE_B","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-BA","structure":{"pearson_symbol":"cI2","prototype":"W","space_group_number":229},"system":"BA","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":{"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":0.01103,"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":0.01103},"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":5.013,"value_stored":0.5013},{"chemical_system":"BA","conditions":{"kind":"not_applicable_own_calculation"},"corrections":[{"after":"BA","before":"AL-BA","evidence":{"basis":"phase_formula","overall_composition":null,"phases":["(Ba)"]},"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":1,"fold_lso":0,"id":"ORC-PXR653NUKJ.7b5439","locator":{"ref":"doi:10.1007/s11669-019-00714-2/p2/tab-1","row":12},"observation_type":"structural_property","origin":{"basis":"this_work_uncited_beside_cited_rows+title_first_principles","class":"computed","measured_in":"doi:10.1007/s11669-019-00714-2","own_work_of_paper":true},"paper":"doi:10.1007/s11669-019-00714-2","paper_id":"doi:10.1007/s11669-019-00714-2","phase_compositions":[{"basis":"mole_fraction","composition":{"BA":1.0},"composition_source":"printed","composition_stored":{"AL":0.0,"BA":1.0},"phase":"(Ba)"}],"phases":[{"label":"(Ba)"}],"pid":"doi:10.1007/s11669-019-00714-2/p2/tab-1/r12#structural_property","pressure_Pa":101325,"pressure_basis":"assumed_default_1_atm_not_printed","pressure_basis_stored":"unstated_assumed","property":"LATTICE_B","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-BA","structure":{"pearson_symbol":"cI2","prototype":"W","space_group_number":229},"system":"BA","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":{"composition":{"sigma_composition":null,"sigma_conversion":null,"sigma_effective":0.05,"sigma_method":{"basis":"prior","class":"dft","entry":"dft/priors/X_PHASE","floor":0.02,"floor_unit":"mole fraction","value":0.02},"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":0.04991,"sigma_method":{"basis":"prior","class":"dft","entry":"dft/priors/LATTICE_LENGTH","floor":0.01,"floor_unit":"relative (fraction of the value)","value":0.04991},"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":4.991,"value_stored":0.4991},{"chemical_system":"BA","conditions":{"kind":"not_applicable_own_calculation"},"corrections":[{"after":"BA","before":"AL-BA","evidence":{"basis":"phase_formula","overall_composition":null,"phases":["(Ba)"]},"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":1,"fold_lso":0,"id":"ORC-PXR653NUKJ.c26402","locator":{"ref":"doi:10.1007/s11669-019-00714-2/p2/tab-1","row":12},"observation_type":"structural_property","origin":{"basis":"this_work_uncited_beside_cited_rows+title_first_principles","class":"computed","measured_in":"doi:10.1007/s11669-019-00714-2","own_work_of_paper":true},"paper":"doi:10.1007/s11669-019-00714-2","paper_id":"doi:10.1007/s11669-019-00714-2","phase_compositions":[{"basis":"mole_fraction","composition":{"BA":1.0},"composition_source":"printed","composition_stored":{"AL":0.0,"BA":1.0},"phase":"(Ba)"}],"phases":[{"label":"(Ba)"}],"pid":"doi:10.1007/s11669-019-00714-2/p2/tab-1/r12#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-BA","structure":{"pearson_symbol":"cI2","prototype":"W","space_group_number":229},"system":"BA","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":{"composition":{"sigma_composition":null,"sigma_conversion":null,"sigma_effective":0.05,"sigma_method":{"basis":"prior","class":"dft","entry":"dft/priors/X_PHASE","floor":0.02,"floor_unit":"mole fraction","value":0.02},"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":0.04991,"sigma_method":{"basis":"prior","class":"dft","entry":"dft/priors/LATTICE_LENGTH","floor":0.01,"floor_unit":"relative (fraction of the value)","value":0.04991},"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":4.991,"value_stored":0.4991},{"chemical_system":"BA","conditions":{"kind":"not_applicable_own_calculation"},"corrections":[{"after":"BA","before":"BA-TI","evidence":{"basis":"printed_overall_composition","overall_composition":{"BA":1.0,"TI":0.0},"phases":["Bcc"]},"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":2,"fold_lso":0,"id":"ORC-RIAAFE4Z6F","locator":{"ref":"doi:10.1016/j.jallcom.2006.03.096/p2/tab-2","row":16},"method":"first-principles (SQS)","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.jallcom.2006.03.096","own_work_of_paper":true},"overall_composition":{"BA":1.0},"overall_composition_stored":{"BA":1.0,"TI":0.0},"paper":"doi:10.1016/j.jallcom.2006.03.096","paper_id":"doi:10.1016/j.jallcom.2006.03.096","phases":[{"label":"Bcc","model_phase":"BCC_A2"}],"pid":"doi:10.1016/j.jallcom.2006.03.096/p2/tab-2/r16#equilibrium_property","pressure_Pa":101325,"pressure_basis":"assumed_default_1_atm_not_printed","pressure_basis_stored":"unstated_assumed","property":"HM_MIX","property_group":"mixing / partial","property_printed":"ΔH","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","text_layer"],"record_kind":"general_table","reference_state":{"BA":{"phase":"BCC_A2"}},"reference_state_stored":{"BA":{"phase":"BCC_A2"},"TI":{"phase":"BCC_A2"}},"source_system":"BA-TI","system":"BA","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":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":7.2,"sigma_method":{"basis":"prior","class":"dft","entry":"dft/priors/H_MIX_PARTIAL","floor":7.2,"floor_unit":"kJ/mol","value":7.2},"sigma_printed":null,"sigma_reading":{"basis":"last_printed_digit","value":0.5},"sigma_scatter":null,"unit":"kJ/mol (basis unstated)","value_type":"H_MIX_PARTIAL"}},"sigma_rule":"max(sqrt(max(printed, reading, method)^2 + composition^2 + conversion^2), scatter)"},"unit":"kJ/mol (basis unstated)","unit_basis":"assumed_per_mole_of_atoms","unit_printed":"J/mol","unit_stored":"J/mol (basis unstated)","value":0.0,"value_printed":0,"value_stored":0.0},{"chemical_system":"BA","conditions":{"kind":"not_applicable_own_calculation"},"corrections":[{"after":"BA","before":"BA-TI","evidence":{"basis":"printed_overall_composition","overall_composition":{"BA":1.0,"TI":0.0},"phases":["Bcc"]},"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":2,"fold_lso":0,"id":"ORC-XZB5TUT3XV","locator":{"ref":"doi:10.1016/j.jallcom.2006.03.096/p2/tab-2","row":16},"method":"first-principles (SQS)","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.2006.03.096","own_work_of_paper":true},"overall_composition":{"BA":1.0},"overall_composition_stored":{"BA":1.0,"TI":0.0},"paper":"doi:10.1016/j.jallcom.2006.03.096","paper_id":"doi:10.1016/j.jallcom.2006.03.096","phases":[{"label":"Bcc","model_phase":"BCC_A2"}],"pid":"doi:10.1016/j.jallcom.2006.03.096/p2/tab-2/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","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-3.1-pro-preview","text_layer"],"record_kind":"general_table","source_system":"BA-TI","system":"BA","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":0.24995},"uncertainty_budget":{"calibration":"orchid-uncertainty-calibration 2026-10-24 (audit round 2) sha256 6a2b5a92b0ec","quantities":{"value":{"sigma_composition":null,"sigma_conversion":null,"sigma_effective":0.04999,"sigma_method":{"basis":"prior","class":"dft","entry":"dft/priors/LATTICE_LENGTH","floor":0.01,"floor_unit":"relative (fraction of the value)","value":0.04999},"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":4.999,"value_printed":4.999,"value_stored":4.999},{"chemical_system":"BA","conditions":{"kind":"not_applicable_own_calculation"},"corrections":[{"after":"BA","before":"BA-TI","evidence":{"basis":"printed_overall_composition","overall_composition":{"BA":1.0,"TI":0.0},"phases":["Fcc"]},"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":2,"fold_lso":0,"id":"ORC-JFLLJLLIJE","locator":{"ref":"doi:10.1016/j.jallcom.2006.03.096/p2/tab-2","row":21},"method":"first-principles (SQS)","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.jallcom.2006.03.096","own_work_of_paper":true},"overall_composition":{"BA":1.0},"overall_composition_stored":{"BA":1.0,"TI":0.0},"paper":"doi:10.1016/j.jallcom.2006.03.096","paper_id":"doi:10.1016/j.jallcom.2006.03.096","phases":[{"label":"Fcc","model_phase":"FCC_A1"}],"pid":"doi:10.1016/j.jallcom.2006.03.096/p2/tab-2/r21#equilibrium_property","pressure_Pa":101325,"pressure_basis":"assumed_default_1_atm_not_printed","pressure_basis_stored":"unstated_assumed","property":"HM_MIX","property_group":"mixing / partial","property_printed":"ΔH","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","text_layer"],"record_kind":"general_table","reference_state":{"BA":{"phase":"FCC_A1"}},"reference_state_stored":{"BA":{"phase":"FCC_A1"},"TI":{"phase":"FCC_A1"}},"source_system":"BA-TI","system":"BA","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":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":7.2,"sigma_method":{"basis":"prior","class":"dft","entry":"dft/priors/H_MIX_PARTIAL","floor":7.2,"floor_unit":"kJ/mol","value":7.2},"sigma_printed":null,"sigma_reading":{"basis":"last_printed_digit","value":0.5},"sigma_scatter":null,"unit":"kJ/mol (basis unstated)","value_type":"H_MIX_PARTIAL"}},"sigma_rule":"max(sqrt(max(printed, reading, method)^2 + composition^2 + conversion^2), scatter)"},"unit":"kJ/mol (basis unstated)","unit_basis":"assumed_per_mole_of_atoms","unit_printed":"J/mol","unit_stored":"J/mol (basis unstated)","value":0.0,"value_printed":0,"value_stored":0.0},{"chemical_system":"BA","conditions":{"kind":"not_applicable_own_calculation"},"corrections":[{"after":"BA","before":"BA-TI","evidence":{"basis":"printed_overall_composition","overall_composition":{"BA":1.0,"TI":0.0},"phases":["Fcc"]},"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":2,"fold_lso":0,"id":"ORC-V3XV6XGL3Y","locator":{"ref":"doi:10.1016/j.jallcom.2006.03.096/p2/tab-2","row":21},"method":"first-principles (SQS)","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.2006.03.096","own_work_of_paper":true},"overall_composition":{"BA":1.0},"overall_composition_stored":{"BA":1.0,"TI":0.0},"paper":"doi:10.1016/j.jallcom.2006.03.096","paper_id":"doi:10.1016/j.jallcom.2006.03.096","phases":[{"label":"Fcc","model_phase":"FCC_A1"}],"pid":"doi:10.1016/j.jallcom.2006.03.096/p2/tab-2/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","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-3.1-pro-preview","text_layer"],"record_kind":"general_table","source_system":"BA-TI","system":"BA","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":0.3158},"uncertainty_budget":{"calibration":"orchid-uncertainty-calibration 2026-10-24 (audit round 2) sha256 6a2b5a92b0ec","quantities":{"value":{"sigma_composition":null,"sigma_conversion":null,"sigma_effective":0.06316,"sigma_method":{"basis":"prior","class":"dft","entry":"dft/priors/LATTICE_LENGTH","floor":0.01,"floor_unit":"relative (fraction of the value)","value":0.06316},"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":6.316,"value_printed":6.316,"value_stored":6.316},{"chemical_system":"BA","conditions":{"kind":"not_applicable_own_calculation"},"corrections":[{"after":"BA","before":"BA-TI","evidence":{"basis":"printed_overall_composition","overall_composition":{"BA":1.0,"TI":0.0},"phases":["Hcp"]},"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":2,"fold_lso":0,"id":"ORC-CHPMSHGULC","locator":{"ref":"doi:10.1016/j.jallcom.2006.03.096/p2/tab-2","row":26},"method":"first-principles (SQS)","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.jallcom.2006.03.096","own_work_of_paper":true},"overall_composition":{"BA":1.0},"overall_composition_stored":{"BA":1.0,"TI":0.0},"paper":"doi:10.1016/j.jallcom.2006.03.096","paper_id":"doi:10.1016/j.jallcom.2006.03.096","phases":[{"label":"Hcp","model_phase":"HCP_A3"}],"pid":"doi:10.1016/j.jallcom.2006.03.096/p2/tab-2/r26#equilibrium_property","pressure_Pa":101325,"pressure_basis":"assumed_default_1_atm_not_printed","pressure_basis_stored":"unstated_assumed","property":"HM_MIX","property_group":"mixing / partial","property_printed":"ΔH","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","text_layer"],"record_kind":"general_table","reference_state":{"BA":{"phase":"HCP_A3"}},"reference_state_stored":{"BA":{"phase":"HCP_A3"},"TI":{"phase":"HCP_A3"}},"source_system":"BA-TI","system":"BA","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":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":7.2,"sigma_method":{"basis":"prior","class":"dft","entry":"dft/priors/H_MIX_PARTIAL","floor":7.2,"floor_unit":"kJ/mol","value":7.2},"sigma_printed":null,"sigma_reading":{"basis":"last_printed_digit","value":0.5},"sigma_scatter":null,"unit":"kJ/mol (basis unstated)","value_type":"H_MIX_PARTIAL"}},"sigma_rule":"max(sqrt(max(printed, reading, method)^2 + composition^2 + conversion^2), scatter)"},"unit":"kJ/mol (basis unstated)","unit_basis":"assumed_per_mole_of_atoms","unit_printed":"J/mol","unit_stored":"J/mol (basis unstated)","value":0.0,"value_printed":0,"value_stored":0.0},{"chemical_system":"BA","conditions":{"kind":"not_applicable_own_calculation"},"corrections":[{"after":"BA","before":"BA-TI","evidence":{"basis":"printed_overall_composition","overall_composition":{"BA":1.0,"TI":0.0},"phases":["Hcp"]},"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":2,"fold_lso":0,"id":"ORC-QCLR4BIFAS","locator":{"ref":"doi:10.1016/j.jallcom.2006.03.096/p2/tab-2","row":26},"method":"first-principles (SQS)","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.2006.03.096","own_work_of_paper":true},"overall_composition":{"BA":1.0},"overall_composition_stored":{"BA":1.0,"TI":0.0},"paper":"doi:10.1016/j.jallcom.2006.03.096","paper_id":"doi:10.1016/j.jallcom.2006.03.096","phases":[{"label":"Hcp","model_phase":"HCP_A3"}],"pid":"doi:10.1016/j.jallcom.2006.03.096/p2/tab-2/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","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-3.1-pro-preview","text_layer"],"record_kind":"general_table","source_system":"BA-TI","system":"BA","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":0.2224},"uncertainty_budget":{"calibration":"orchid-uncertainty-calibration 2026-10-24 (audit round 2) sha256 6a2b5a92b0ec","quantities":{"value":{"sigma_composition":null,"sigma_conversion":null,"sigma_effective":0.04448,"sigma_method":{"basis":"prior","class":"dft","entry":"dft/priors/LATTICE_LENGTH","floor":0.01,"floor_unit":"relative (fraction of the value)","value":0.04448},"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":4.448,"value_printed":4.448,"value_stored":4.448},{"chemical_system":"BA","cited_sources":[{"doi":"10.1016/0925-8388(92)90586-x","first_author":"Evers","kind":"unknown","label":"36","paper":"doi:10.1016/0925-8388(92)90586-x","reference":"J. Evers, G. Oehlinger, B. Sendlinger, A. Weiss, M. Schmidt, P. Schramel, Lattice parameter of a high purity barium wire extruded in ultrahigh vacuum, J. Alloys Compd. 182 (1992) 175e187.","status":"resolved","year":"1992"}],"conditions":{"kind":"cited_source","note":"conditions in the cited source"},"corrections":[{"after":"BA","before":"BA-BI","evidence":{"basis":"phase_formula","overall_composition":{"BI":0.0},"phases":["Bcc-Ba"]},"field":"system","gate":"A1","rule":"system_of_the_state"},{"after":{"phase":"Bcc-Ba","space_group":"Im-3m"},"before":null,"evidence":{"batch":"table_context_batch_05","doi":"10.1016/j.jallcom.2018.08.324","pdf_page":4,"pdf_sha256":"5663c7189392375ccb526a491fe95c9ef079908ee58629d754a190af37a06fab","printed":"Bcc-Ba | Im-3m | 4.35 4.35 4.35 [36] / 4.36 4.36 4.36 This work","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":[1,2],"table":"1","table_key":"t099"},"field":"structure","gate":"TC20261027","rule":"source_adjudicated_table_context","visual_check":{"checked":"2026-10-27; Claude rendered-page inspection, table-context batch 05","image_sha256":"8164e88d7058722c4b5e038cd03cbf225a1c875d730f488f0527bef842d25ea1","page":4,"pdf_sha256_prefix":"5663c7189392375c","seen":"two-line group (reference, This work); space group printed on first line","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":3,"fold_lso":0,"id":"ORC-2FWUWERKCR.60dc9f","locator":{"ref":"doi:10.1016/j.jallcom.2018.08.324/p4/tab-1","row":1},"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":{"BI":0.0},"paper":"doi:10.1016/j.jallcom.2018.08.324","paper_id":"doi:10.1016/j.jallcom.2018.08.324","phases":[{"label":"Bcc-Ba"}],"pid":"doi:10.1016/j.jallcom.2018.08.324/p4/tab-1/r01#structural_property","pressure_Pa":101325,"pressure_basis":"assumed_default_1_atm_not_printed","pressure_basis_stored":"unstated_assumed","property":"LATTICE_B","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-BI","structure":{"phase":"Bcc-Ba","space_group":"Im-3m"},"system":"BA","temperature_K":298.15,"temperature_basis":"stated_room_temperature","temperature_printed":"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":0.00957,"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":0.00957},"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":4.35,"value_stored":4.35},{"chemical_system":"BA","cited_sources":[{"doi":"10.1016/0925-8388(92)90586-x","first_author":"Evers","kind":"unknown","label":"36","paper":"doi:10.1016/0925-8388(92)90586-x","reference":"J. Evers, G. Oehlinger, B. Sendlinger, A. Weiss, M. Schmidt, P. Schramel, Lattice parameter of a high purity barium wire extruded in ultrahigh vacuum, J. Alloys Compd. 182 (1992) 175e187.","status":"resolved","year":"1992"}],"conditions":{"kind":"cited_source","note":"conditions in the cited source"},"corrections":[{"after":"BA","before":"BA-BI","evidence":{"basis":"phase_formula","overall_composition":{"BI":0.0},"phases":["Bcc-Ba"]},"field":"system","gate":"A1","rule":"system_of_the_state"},{"after":{"phase":"Bcc-Ba","space_group":"Im-3m"},"before":null,"evidence":{"batch":"table_context_batch_05","doi":"10.1016/j.jallcom.2018.08.324","pdf_page":4,"pdf_sha256":"5663c7189392375ccb526a491fe95c9ef079908ee58629d754a190af37a06fab","printed":"Bcc-Ba | Im-3m | 4.35 4.35 4.35 [36] / 4.36 4.36 4.36 This work","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":[1,2],"table":"1","table_key":"t099"},"field":"structure","gate":"TC20261027","rule":"source_adjudicated_table_context","visual_check":{"checked":"2026-10-27; Claude rendered-page inspection, table-context batch 05","image_sha256":"8164e88d7058722c4b5e038cd03cbf225a1c875d730f488f0527bef842d25ea1","page":4,"pdf_sha256_prefix":"5663c7189392375c","seen":"two-line group (reference, This work); space group printed on first line","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":3,"fold_lso":0,"id":"ORC-2FWUWERKCR.848d52","locator":{"ref":"doi:10.1016/j.jallcom.2018.08.324/p4/tab-1","row":1},"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":{"BI":0.0},"paper":"doi:10.1016/j.jallcom.2018.08.324","paper_id":"doi:10.1016/j.jallcom.2018.08.324","phases":[{"label":"Bcc-Ba"}],"pid":"doi:10.1016/j.jallcom.2018.08.324/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":"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-BI","structure":{"phase":"Bcc-Ba","space_group":"Im-3m"},"system":"BA","temperature_K":298.15,"temperature_basis":"stated_room_temperature","temperature_printed":"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":0.00957,"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":0.00957},"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":4.35,"value_stored":4.35},{"chemical_system":"BA","cited_sources":[{"doi":"10.1016/0925-8388(92)90586-x","first_author":"Evers","kind":"unknown","label":"36","paper":"doi:10.1016/0925-8388(92)90586-x","reference":"J. Evers, G. Oehlinger, B. Sendlinger, A. Weiss, M. Schmidt, P. Schramel, Lattice parameter of a high purity barium wire extruded in ultrahigh vacuum, J. Alloys Compd. 182 (1992) 175e187.","status":"resolved","year":"1992"}],"conditions":{"kind":"cited_source","note":"conditions in the cited source"},"corrections":[{"after":"BA","before":"BA-BI","evidence":{"basis":"phase_formula","overall_composition":{"BI":0.0},"phases":["Bcc-Ba"]},"field":"system","gate":"A1","rule":"system_of_the_state"},{"after":{"phase":"Bcc-Ba","space_group":"Im-3m"},"before":null,"evidence":{"batch":"table_context_batch_05","doi":"10.1016/j.jallcom.2018.08.324","pdf_page":4,"pdf_sha256":"5663c7189392375ccb526a491fe95c9ef079908ee58629d754a190af37a06fab","printed":"Bcc-Ba | Im-3m | 4.35 4.35 4.35 [36] / 4.36 4.36 4.36 This work","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":[1,2],"table":"1","table_key":"t099"},"field":"structure","gate":"TC20261027","rule":"source_adjudicated_table_context","visual_check":{"checked":"2026-10-27; Claude rendered-page inspection, table-context batch 05","image_sha256":"8164e88d7058722c4b5e038cd03cbf225a1c875d730f488f0527bef842d25ea1","page":4,"pdf_sha256_prefix":"5663c7189392375c","seen":"two-line group (reference, This work); space group printed on first line","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":3,"fold_lso":0,"id":"ORC-2FWUWERKCR.9674a5","locator":{"ref":"doi:10.1016/j.jallcom.2018.08.324/p4/tab-1","row":1},"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":{"BI":0.0},"paper":"doi:10.1016/j.jallcom.2018.08.324","paper_id":"doi:10.1016/j.jallcom.2018.08.324","phases":[{"label":"Bcc-Ba"}],"pid":"doi:10.1016/j.jallcom.2018.08.324/p4/tab-1/r01#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":"BA-BI","structure":{"phase":"Bcc-Ba","space_group":"Im-3m"},"system":"BA","temperature_K":298.15,"temperature_basis":"stated_room_temperature","temperature_printed":"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":0.00957,"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":0.00957},"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":4.35,"value_stored":4.35},{"chemical_system":"BA","conditions":{"kind":"not_applicable_own_calculation"},"corrections":[{"after":"dft","before":"model","evidence":{"basis":"caption_names_only_a_first_principles_calculation","caption":"Lattice parameters from first-principles calculations using PBE compared with experimental values.","method":null,"printed":null},"field":"evidence_class","gate":"R3","rule":"first_principles_value_coded_model","visual_check":{"checked":"2026-10-24","image_sha256":"c66d3ced425424a13bc0862f9fb97ee82629025c30d50ee101ec71677a232969","page":6,"pdf_sha256_prefix":"fa9c11d530e12e09","seen":"First-principles values stored as model: ErBi2 (VASP PAW GGA-PBE, section 3), Cr-Zr Laves a (relaxed, this work), SiSr GGA [17], Ti3Be ab initio (FLAPW-GGA WIEN2k), UAl3 Wien2k.","verdict":"rule_confirmed"}},{"after":"BA","before":"BA-BI","evidence":{"basis":"phase_formula","overall_composition":{"BI":0.0},"phases":["Bcc-Ba"]},"field":"system","gate":"A1","rule":"system_of_the_state"},{"after":{"phase":"Bcc-Ba","space_group":"Im-3m"},"before":null,"evidence":{"batch":"table_context_batch_05","doi":"10.1016/j.jallcom.2018.08.324","pdf_page":4,"pdf_sha256":"5663c7189392375ccb526a491fe95c9ef079908ee58629d754a190af37a06fab","printed":"Bcc-Ba | Im-3m | 4.35 4.35 4.35 [36] / 4.36 4.36 4.36 This work","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":[1,2],"table":"1","table_key":"t099"},"field":"structure","gate":"TC20261027","rule":"source_adjudicated_table_context","visual_check":{"checked":"2026-10-27; Claude rendered-page inspection, table-context batch 05","image_sha256":"8164e88d7058722c4b5e038cd03cbf225a1c875d730f488f0527bef842d25ea1","page":4,"pdf_sha256_prefix":"5663c7189392375c","seen":"two-line group (reference, This work); space group printed on first line","verdict":"confirmed"}}],"evidence_class":"dft","evidence_class_before_gates":"model","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-ZD7LB4IZLP.57c668","locator":{"ref":"doi:10.1016/j.jallcom.2018.08.324/p4/tab-1","row":2},"model":"M04a0352e","observation_type":"structural_property","origin":{"basis":"this_work+paper_text_states_calculated","class":"model_value","class_gate":"dft","measured_in":"doi:10.1016/j.jallcom.2018.08.324","own_work_of_paper":true},"overall_composition":{},"overall_composition_basis":"from_formula","overall_composition_stored":{"BI":0.0},"paper":"doi:10.1016/j.jallcom.2018.08.324","paper_id":"doi:10.1016/j.jallcom.2018.08.324","phases":[{"label":"Bcc-Ba"}],"pid":"doi:10.1016/j.jallcom.2018.08.324/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":"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-BI","structure":{"phase":"Bcc-Ba","space_group":"Im-3m"},"system":"BA","temperature_K":298.15,"temperature_basis":"stated_room_temperature","temperature_printed":"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":0.0436,"sigma_method":{"basis":"prior","class":"dft","entry":"dft/priors/LATTICE_LENGTH","floor":0.01,"floor_unit":"relative (fraction of the value)","value":0.0436},"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":4.36,"value_stored":4.36},{"chemical_system":"BA","conditions":{"kind":"not_applicable_own_calculation"},"corrections":[{"after":"dft","before":"model","evidence":{"basis":"caption_names_only_a_first_principles_calculation","caption":"Lattice parameters from first-principles calculations using PBE compared with experimental values.","method":null,"printed":null},"field":"evidence_class","gate":"R3","rule":"first_principles_value_coded_model","visual_check":{"checked":"2026-10-24","image_sha256":"c66d3ced425424a13bc0862f9fb97ee82629025c30d50ee101ec71677a232969","page":6,"pdf_sha256_prefix":"fa9c11d530e12e09","seen":"First-principles values stored as model: ErBi2 (VASP PAW GGA-PBE, section 3), Cr-Zr Laves a (relaxed, this work), SiSr GGA [17], Ti3Be ab initio (FLAPW-GGA WIEN2k), UAl3 Wien2k.","verdict":"rule_confirmed"}},{"after":"BA","before":"BA-BI","evidence":{"basis":"phase_formula","overall_composition":{"BI":0.0},"phases":["Bcc-Ba"]},"field":"system","gate":"A1","rule":"system_of_the_state"},{"after":{"phase":"Bcc-Ba","space_group":"Im-3m"},"before":null,"evidence":{"batch":"table_context_batch_05","doi":"10.1016/j.jallcom.2018.08.324","pdf_page":4,"pdf_sha256":"5663c7189392375ccb526a491fe95c9ef079908ee58629d754a190af37a06fab","printed":"Bcc-Ba | Im-3m | 4.35 4.35 4.35 [36] / 4.36 4.36 4.36 This work","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":[1,2],"table":"1","table_key":"t099"},"field":"structure","gate":"TC20261027","rule":"source_adjudicated_table_context","visual_check":{"checked":"2026-10-27; Claude rendered-page inspection, table-context batch 05","image_sha256":"8164e88d7058722c4b5e038cd03cbf225a1c875d730f488f0527bef842d25ea1","page":4,"pdf_sha256_prefix":"5663c7189392375c","seen":"two-line group (reference, This work); space group printed on first line","verdict":"confirmed"}}],"evidence_class":"dft","evidence_class_before_gates":"model","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-ZD7LB4IZLP.c21c10","locator":{"ref":"doi:10.1016/j.jallcom.2018.08.324/p4/tab-1","row":2},"model":"M04a0352e","observation_type":"structural_property","origin":{"basis":"this_work+paper_text_states_calculated","class":"model_value","class_gate":"dft","measured_in":"doi:10.1016/j.jallcom.2018.08.324","own_work_of_paper":true},"overall_composition":{},"overall_composition_basis":"from_formula","overall_composition_stored":{"BI":0.0},"paper":"doi:10.1016/j.jallcom.2018.08.324","paper_id":"doi:10.1016/j.jallcom.2018.08.324","phases":[{"label":"Bcc-Ba"}],"pid":"doi:10.1016/j.jallcom.2018.08.324/p4/tab-1/r02#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":"BA-BI","structure":{"phase":"Bcc-Ba","space_group":"Im-3m"},"system":"BA","temperature_K":298.15,"temperature_basis":"stated_room_temperature","temperature_printed":"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":0.0436,"sigma_method":{"basis":"prior","class":"dft","entry":"dft/priors/LATTICE_LENGTH","floor":0.01,"floor_unit":"relative (fraction of the value)","value":0.0436},"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":4.36,"value_stored":4.36},{"chemical_system":"BA","conditions":{"kind":"not_applicable_own_calculation"},"corrections":[{"after":"dft","before":"model","evidence":{"basis":"caption_names_only_a_first_principles_calculation","caption":"Lattice parameters from first-principles calculations using PBE compared with experimental values.","method":null,"printed":null},"field":"evidence_class","gate":"R3","rule":"first_principles_value_coded_model","visual_check":{"checked":"2026-10-24","image_sha256":"c66d3ced425424a13bc0862f9fb97ee82629025c30d50ee101ec71677a232969","page":6,"pdf_sha256_prefix":"fa9c11d530e12e09","seen":"First-principles values stored as model: ErBi2 (VASP PAW GGA-PBE, section 3), Cr-Zr Laves a (relaxed, this work), SiSr GGA [17], Ti3Be ab initio (FLAPW-GGA WIEN2k), UAl3 Wien2k.","verdict":"rule_confirmed"}},{"after":"BA","before":"BA-BI","evidence":{"basis":"phase_formula","overall_composition":{"BI":0.0},"phases":["Bcc-Ba"]},"field":"system","gate":"A1","rule":"system_of_the_state"},{"after":{"phase":"Bcc-Ba","space_group":"Im-3m"},"before":null,"evidence":{"batch":"table_context_batch_05","doi":"10.1016/j.jallcom.2018.08.324","pdf_page":4,"pdf_sha256":"5663c7189392375ccb526a491fe95c9ef079908ee58629d754a190af37a06fab","printed":"Bcc-Ba | Im-3m | 4.35 4.35 4.35 [36] / 4.36 4.36 4.36 This work","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":[1,2],"table":"1","table_key":"t099"},"field":"structure","gate":"TC20261027","rule":"source_adjudicated_table_context","visual_check":{"checked":"2026-10-27; Claude rendered-page inspection, table-context batch 05","image_sha256":"8164e88d7058722c4b5e038cd03cbf225a1c875d730f488f0527bef842d25ea1","page":4,"pdf_sha256_prefix":"5663c7189392375c","seen":"two-line group (reference, This work); space group printed on first line","verdict":"confirmed"}}],"evidence_class":"dft","evidence_class_before_gates":"model","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-ZD7LB4IZLP.ea07ce","locator":{"ref":"doi:10.1016/j.jallcom.2018.08.324/p4/tab-1","row":2},"model":"M04a0352e","observation_type":"structural_property","origin":{"basis":"this_work+paper_text_states_calculated","class":"model_value","class_gate":"dft","measured_in":"doi:10.1016/j.jallcom.2018.08.324","own_work_of_paper":true},"overall_composition":{},"overall_composition_basis":"from_formula","overall_composition_stored":{"BI":0.0},"paper":"doi:10.1016/j.jallcom.2018.08.324","paper_id":"doi:10.1016/j.jallcom.2018.08.324","phases":[{"label":"Bcc-Ba"}],"pid":"doi:10.1016/j.jallcom.2018.08.324/p4/tab-1/r02#structural_property","pressure_Pa":101325,"pressure_basis":"assumed_default_1_atm_not_printed","pressure_basis_stored":"unstated_assumed","property":"LATTICE_B","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-BI","structure":{"phase":"Bcc-Ba","space_group":"Im-3m"},"system":"BA","temperature_K":298.15,"temperature_basis":"stated_room_temperature","temperature_printed":"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":0.0436,"sigma_method":{"basis":"prior","class":"dft","entry":"dft/priors/LATTICE_LENGTH","floor":0.01,"floor_unit":"relative (fraction of the value)","value":0.0436},"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":4.36,"value_stored":4.36},{"chemical_system":"BA","conditions":{"kind":"paper_context","paper":"doi:10.1016/j.jallcom.2018.08.324"},"corrections":[{"after":"dft","before":"experimental","evidence":{"T_K":0.0,"caption":"Equilibrium volume (V 0 , Å 3 /atom), energy (E 0 , kJ/mol-atom), bulk modulus B 0 (GPa), and the first derivative of bulk modulus with respect to pressure (B 0 ","origin_basis":"this_work_uncited_beside_cited_rows+title_experimental"},"field":"evidence_class","gate":"R2","rule":"own_first_principles_row_labelled_experimental","visual_check":{"checked":"2026-10-24","image_sha256":"84a758ea449ca4f1e04933d471c5df6a15f8470e167663c9cd0126a2e73d66d1","page":4,"pdf_sha256_prefix":"99b73cbafceea41d","seen":"Uncited rows of the paper's own ab initio tables (Al3Zr ΔE eV/f.u.; V0 Å3/atom PBE) are 0 K calculations, not experimental values.","verdict":"rule_confirmed"}},{"after":"BA","before":"BA-BI","evidence":{"basis":"phase_formula","overall_composition":{"BI":0.0},"phases":["Ba"]},"field":"system","gate":"A1","rule":"system_of_the_state"}],"evidence_class":"dft","evidence_class_before_gates":"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":3,"fold_lso":0,"id":"ORC-RJNENUUHTK.7e994d","locator":{"ref":"doi:10.1016/j.jallcom.2018.08.324/p4/tab-2","row":1},"merged_ids":["ORC-RJNENUUHTK.dc374e"],"observation_type":"equilibrium_property","origin":{"basis":"this_work_uncited_beside_cited_rows+title_experimental","class":"experimental","class_gate":"dft","measured_in":"doi:10.1016/j.jallcom.2018.08.324","own_work_of_paper":true},"overall_composition":{},"overall_composition_basis":"from_formula","overall_composition_stored":{"BI":0.0},"paper":"doi:10.1016/j.jallcom.2018.08.324","paper_id":"doi:10.1016/j.jallcom.2018.08.324","phases":[{"label":"Ba"}],"pid":"doi:10.1016/j.jallcom.2018.08.324/p4/tab-2/r01#equilibrium_property","pressure_Pa":101325,"pressure_basis":"assumed_default_1_atm_not_printed","pressure_basis_stored":"unstated_assumed","property":"MOLAR_VOLUME","property_group":"crystal structure","property_printed":"V0","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-BI","system":"BA","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":3.1261},"uncertainty_budget":{"calibration":"orchid-uncertainty-calibration 2026-10-24 (audit round 2) sha256 6a2b5a92b0ec","quantities":{"value":{"sigma_composition":null,"sigma_conversion":null,"sigma_effective":1.876,"sigma_method":{"basis":"prior","class":"dft","entry":"dft/priors/VOLUME","floor":0.03,"floor_unit":"relative (fraction of the value)","value":1.876},"sigma_printed":null,"sigma_reading":{"basis":"last_printed_digit","value":0.0005},"sigma_scatter":null,"unit":"Å3/atom","value_type":"VOLUME"}},"sigma_rule":"max(sqrt(max(printed, reading, method)^2 + composition^2 + conversion^2), scatter)"},"unit":"Å3/atom","unit_basis":"column_header","unit_printed":"Å3/atom","value":62.522,"value_printed":62.522},{"chemical_system":"BA","cited_sources":[{"doi":"10.1016/0925-8388(92)90586-x","first_author":"Evers","kind":"unknown","label":"36","paper":"doi:10.1016/0925-8388(92)90586-x","reference":"J. Evers, G. Oehlinger, B. Sendlinger, A. Weiss, M. Schmidt, P. Schramel, Lattice parameter of a high purity barium wire extruded in ultrahigh vacuum, J. Alloys Compd. 182 (1992) 175e187.","status":"resolved","year":"1992"}],"conditions":{"kind":"cited_source","note":"conditions in the cited source"},"corrections":[{"after":null,"before":0.0,"evidence":{"caption":"Equilibrium volume (V 0 , Å 3 /atom), energy (E 0 , kJ/mol-atom), bulk modulus B 0 (GPa), and the first derivative of bulk modulus with respect to pressure (B 0 ","why":"0 K is the temperature of the first-principles columns of the table, not of this cited experimental value; formation quantities are standard (298.15 K), others unstated"},"field":"temperature_K","gate":"R2","rule":"experimental_value_from_0K_caption","visual_check":{"checked":"2026-10-24","image_sha256":"797bae5146d08da7016bcf863d95822304e3e45ac67e031a49aad7fa228cf482","page":3,"pdf_sha256_prefix":"664f945fea949860","seen":"Cited experimental values in tables captioned 0 K / first-principles took 0 K; formation quantities are standard (298.15 K), ambient when the caption says so, unstated otherwise.","verdict":"rule_confirmed"}},{"after":"BA","before":"BA-BI","evidence":{"basis":"phase_formula","overall_composition":{"BI":0.0},"phases":["Ba"]},"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":3,"fold_lso":0,"id":"ORC-F2TI5GPVK3.008acf","locator":{"ref":"doi:10.1016/j.jallcom.2018.08.324/p4/tab-2","row":2},"merged_ids":["ORC-F2TI5GPVK3.7793a5"],"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":{"BI":0.0},"paper":"doi:10.1016/j.jallcom.2018.08.324","paper_id":"doi:10.1016/j.jallcom.2018.08.324","phases":[{"label":"Ba"}],"pid":"doi:10.1016/j.jallcom.2018.08.324/p4/tab-2/r02#equilibrium_property","pressure_Pa":101325,"pressure_basis":"assumed_default_1_atm_not_printed","pressure_basis_stored":"unstated_assumed","property":"MOLAR_VOLUME","property_group":"crystal structure","property_printed":"V0","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-BI","system":"BA","temperature_K":null,"temperature_K_stored":0.0,"temperature_basis":"not_printed","temperature_printed":"0 K","tool_release":"tools-release-v2.1.18","uncertainty":{"basis":"stated_default","note":"5% default","value":3.14375},"uncertainty_budget":{"calibration":"orchid-uncertainty-calibration 2026-10-24 (audit round 2) sha256 6a2b5a92b0ec","quantities":{"value":{"sigma_composition":null,"sigma_conversion":null,"sigma_effective":0.3395,"sigma_method":{"basis":"cleaned_below_threshold","ci95":[0.003722,0.019682],"class":"unknown","entry":"value_types/VOLUME/classes/unknown","floor":0.0054,"floor_unit":"relative (fraction of the value)","n_pairs":43,"prior_source":"orchid_assumed","value":0.3395},"sigma_printed":null,"sigma_reading":{"basis":"last_printed_digit","value":0.0005},"sigma_scatter":null,"unit":"Å3/atom","value_type":"VOLUME"}},"sigma_rule":"max(sqrt(max(printed, reading, method)^2 + composition^2 + conversion^2), scatter)"},"unit":"Å3/atom","unit_basis":"column_header","unit_printed":"Å3/atom","value":62.875,"value_printed":62.875},{"chemical_system":"BA","cited_sources":[{"kind":"unknown","label":"1","status":"unresolved"}],"conditions":{"kind":"cited_source","note":"conditions in the cited source"},"corrections":[{"after":"BA","before":"BA-CA-SR-V","evidence":{"basis":"phase_formula","overall_composition":null,"phases":["bcc (Ba)"]},"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-XFX2YY7U4O","locator":{"ref":"sha256:89187a5b0c5f0dd3/p2/tab-i","row":5},"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 (Ba)"}],"phases":[{"label":"bcc (Ba)"}],"pid":"sha256:89187a5b0c5f0dd3/p2/tab-i/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":"BA-CA-SR-V","structure":{"pearson_symbol":"cI2","prototype":"W","strukturbericht":"A2"},"system":"BA","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":0.01105,"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":0.01105},"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":5.023,"value_stored":0.5023},{"chemical_system":"BA","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":"BA","before":"B-BA-CA-GA-SR","evidence":{"basis":"overall_composition_all_elements","overall_composition":{"BA":1.0,"CA":0.0,"GA":0.0,"SR":0.0},"phases":["UNKNOWN"]},"field":"system","gate":"A1","rule":"system_of_the_state"},{"after":[{"label":"(Ba)","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":"(Ba) | W | cI2 | Im-3m | 0.5021 [11] / 0.5012 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":[12,13],"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":"(Ba)","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":"(Ba) | W | cI2 | Im-3m | 0.5021 [11] / 0.5012 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":[12,13],"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-RYTLPCURVF","locator":{"ref":"sha256:cb38fae1d94c72fa/p2/tab-1","row":12},"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":{"BA":1.0},"overall_composition_basis":"from_formula","overall_composition_stored":{"BA":1.0,"CA":0.0,"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":"(Ba)","label_source":"printed_source_page","pearson_symbol":"cI2","prototype":"W","structure_basis":"printed_source_page"}],"pid":"sha256:cb38fae1d94c72fa/p2/tab-1/r12#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":"(Ba)","prototype":"W","space_group":"Im-3m"},"system":"BA","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":0.01105,"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":0.01105},"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":5.021,"value_stored":0.5021},{"chemical_system":"BA","conditions":{"kind":"not_applicable_own_calculation"},"corrections":[{"after":"BA","before":"B-BA-CA-GA-SR","evidence":{"basis":"overall_composition_all_elements","overall_composition":{"BA":1.0,"CA":0.0,"GA":0.0,"SR":0.0},"phases":["UNKNOWN"]},"field":"system","gate":"A1","rule":"system_of_the_state"},{"after":[{"label":"(Ba)","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":"(Ba) | W | cI2 | Im-3m | 0.5021 [11] / 0.5012 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":[12,13],"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":"(Ba)","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":"(Ba) | W | cI2 | Im-3m | 0.5021 [11] / 0.5012 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":[12,13],"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-KWJPOTICYW","locator":{"ref":"sha256:cb38fae1d94c72fa/p2/tab-1","row":13},"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":{"BA":1.0},"overall_composition_basis":"from_formula","overall_composition_stored":{"BA":1.0,"CA":0.0,"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":"(Ba)","label_source":"printed_source_page","pearson_symbol":"cI2","prototype":"W","structure_basis":"printed_source_page"}],"pid":"sha256:cb38fae1d94c72fa/p2/tab-1/r13#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":"(Ba)","prototype":"W","space_group":"Im-3m"},"system":"BA","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":0.05012,"sigma_method":{"basis":"prior","class":"dft","entry":"dft/priors/LATTICE_LENGTH","floor":0.01,"floor_unit":"relative (fraction of the value)","value":0.05012},"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":5.012,"value_stored":0.5012}],"release":"orchid-literature 2026-10-23 (record store db-v2.1: invariant/general v2.1.19r, text+context fixup-20261022)","system":"BA"}