{"artifacts":{"sha256:7f95f07531b234dc/p3/tab-2":{"artifact":"table","caption":"The results of first-principle calculations comparing with experimental data","label":"2","page":3},"sha256:93322735d8bc2dbb/p3/tab-1":{"artifact":"table","caption":"Crystallographic data of the phases in the Ge–Na and Ge–K systems.","label":"1","page":3}},"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":["K"],"licence":"CC BY 4.0 (ORCHID data; quotes are short excerpts kept for verification, the publishers' copyright, not relicensed)","models":{},"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:10.1016/0022-3697(86)90073-9":{"authors":["Lin-gun Liu"],"citation":"Lin-gun Liu, Compression and polymorphism of potassium to 400 kbar, Journal of Physics and Chemistry of Solids 47, 1067-1072 (1986).","container":"Journal of Physics and Chemistry of Solids","doi":"10.1016/0022-3697(86)90073-9","doi_url":"https://doi.org/10.1016/0022-3697(86)90073-9","id":"doi:10.1016/0022-3697(86)90073-9","kind":"cited_work","metadata_source":"crossref","roles":["cited_source"],"source_kinds":["cited_work"],"title":"Compression and polymorphism of potassium to 400 kbar","year":1986},"doi:10.1016/j.calphad.2012.01.004":{"authors":["Yaru Wang","Peisheng Wang","Dongdong Zhao","Biao Hu","Yong Du","Honghui Xu","Keke Chang"],"citation":"Yaru Wang, Peisheng Wang, Dongdong Zhao, Biao Hu, Yong Du, Honghui Xu et al., Thermodynamic description of the Ge–Na and Ge–K systems using the CALPHAD approach supported by first-principles calculations, Calphad 37, 72-76 (2012).","container":"Calphad","doi":"10.1016/j.calphad.2012.01.004","doi_url":"https://doi.org/10.1016/j.calphad.2012.01.004","id":"doi:10.1016/j.calphad.2012.01.004","kind":"corpus_paper","metadata_source":"crossref","pdf_sha256_prefix":"93322735d8bc2dbb","roles":["reporting_paper"],"source_kinds":["journal_article"],"title":"Thermodynamic description of the Ge–Na and Ge–K systems using the CALPHAD approach supported by first-principles calculations","year":2012},"doi:10.1016/j.msea.2005.11.037":{"authors":["Shengjun Zhang","Carl Brubaker","Chao Jiang","Mei Yang","Yu Zhong","Qingyou Han","Zi-Kui Liu"],"citation":"Shengjun Zhang, Carl Brubaker, Chao Jiang, Mei Yang, Yu Zhong, Qingyou Han et al., A combined first-principles calculation and thermodynamic modeling of the F–K–Na system, Materials Science and Engineering: A 418, 161-171 (2006).","container":"Materials Science and Engineering: A","doi":"10.1016/j.msea.2005.11.037","doi_url":"https://doi.org/10.1016/j.msea.2005.11.037","id":"doi:10.1016/j.msea.2005.11.037","kind":"corpus_paper","metadata_source":"crossref","pdf_sha256_prefix":"7f95f07531b234dc","roles":["reporting_paper"],"source_kinds":["journal_article"],"title":"A combined first-principles calculation and thermodynamic modeling of the F–K–Na system","year":2006}},"part":1,"parts":1,"records":[{"chemical_system":"K","conditions":{"kind":"not_applicable_own_calculation"},"corrections":[{"after":298.15,"before":298.0,"evidence":{"printed":"298 K"},"field":"temperature_K","gate":"G1","rule":"standard_reference_temperature"},{"after":"K","before":"F-K-NA","evidence":{"basis":"printed_overall_composition","overall_composition":{"K":1.0},"phases":["K"]},"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","specification_gaps":["reference-dependent quantity without a resolved reference state","state:reference_state"],"state_fully_specified":false,"system_is_state_subsystem":true},"fold_lpo":0,"fold_lso":0,"id":"ORC-ELWX2PIYGP.739f2a","locator":{"ref":"sha256:7f95f07531b234dc/p3/tab-2","row":22},"merged_ids":["ORC-ELWX2PIYGP.cbebb0"],"method":"first-principle calculations","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.msea.2005.11.037","own_work_of_paper":true},"overall_composition":{"K":1.0},"paper":"doi:10.1016/j.msea.2005.11.037","paper_id":"doi:10.1016/j.msea.2005.11.037","phases":[{"label":"K"}],"pid":"sha256:7f95f07531b234dc/p3/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","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":{"K":{"phase":"printed:none"}},"reference_state_stored":{"F":{"phase":"printed:none"},"K":{"phase":"printed:none"},"NA":{"phase":"printed:none"}},"source_system":"F-K-NA","system":"K","temperature_K":298.15,"temperature_K_stored":298.0,"temperature_basis":"printed","temperature_printed":"298 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":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":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":"column_header","unit_printed":"J/mol of atom","unit_stored":"J/mol-atom","value":0.0,"value_printed":0,"value_stored":0.0},{"chemical_system":"K","conditions":{"kind":"not_applicable_own_calculation"},"corrections":[{"after":298.15,"before":298.0,"evidence":{"printed":"298 K"},"field":"temperature_K","gate":"G1","rule":"standard_reference_temperature"},{"after":"K","before":"F-K-NA","evidence":{"basis":"printed_overall_composition","overall_composition":{"K":1.0},"phases":["K"]},"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":0,"fold_lso":0,"id":"ORC-2LHXAL4KTU","locator":{"ref":"sha256:7f95f07531b234dc/p3/tab-2","row":22},"method":"first-principle calculations","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.msea.2005.11.037","own_work_of_paper":true},"overall_composition":{"K":1.0},"paper":"doi:10.1016/j.msea.2005.11.037","paper_id":"doi:10.1016/j.msea.2005.11.037","phases":[{"label":"K"}],"pid":"sha256:7f95f07531b234dc/p3/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":"Lattice constant 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":"F-K-NA","system":"K","temperature_K":298.15,"temperature_K_stored":298.0,"temperature_basis":"printed","temperature_printed":"298 K","tool_release":"tools-release-v2.1.18","uncertainty":{"basis":"stated_default","note":"5% default","value":0.26355},"uncertainty_budget":{"calibration":"orchid-uncertainty-calibration 2026-10-24 (audit round 2) sha256 6a2b5a92b0ec","quantities":{"value":{"sigma_composition":null,"sigma_conversion":null,"sigma_effective":0.05271,"sigma_method":{"basis":"prior","class":"dft","entry":"dft/priors/LATTICE_LENGTH","floor":0.01,"floor_unit":"relative (fraction of the value)","value":0.05271},"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_basis":"column_header","unit_printed":"Å","unit_stored":"Å","value":5.271,"value_printed":5.271,"value_stored":5.271},{"chemical_system":"K","cited_sources":[{"doi":"10.1016/0022-3697(86)90073-9","first_author":"Liu","kind":"unknown","label":"54","paper":"doi:10.1016/0022-3697(86)90073-9","reference":"L.-G. Liu, J. Phys. Chem. Solids 47 (1986) 1067–1072.","status":"resolved","year":"1986"}],"conditions":{"kind":"cited_source","note":"conditions in the cited source"},"corrections":[{"after":298.15,"before":298.0,"evidence":{"printed":"298 K"},"field":"temperature_K","gate":"G1","rule":"standard_reference_temperature"},{"after":"K","before":"F-K-NA","evidence":{"basis":"printed_overall_composition","overall_composition":{"K":1.0},"phases":["K"]},"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-XQNDRTQUW4","locator":{"ref":"sha256:7f95f07531b234dc/p3/tab-2","row":23},"observation_type":"structural_property","origin":{"basis":"printed_source_experimental","class":"experimental","own_work_of_paper":false},"overall_composition":{"K":1.0},"paper":"doi:10.1016/j.msea.2005.11.037","paper_id":"doi:10.1016/j.msea.2005.11.037","phases":[{"label":"K"}],"pid":"sha256:7f95f07531b234dc/p3/tab-2/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","property_printed":"Lattice constant 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":"F-K-NA","system":"K","temperature_K":298.15,"temperature_K_stored":298.0,"temperature_basis":"printed","temperature_printed":"298 K","tool_release":"tools-release-v2.1.18","uncertainty":{"basis":"stated_default","note":"5% default","value":0.2664},"uncertainty_budget":{"calibration":"orchid-uncertainty-calibration 2026-10-24 (audit round 2) sha256 6a2b5a92b0ec","quantities":{"value":{"sigma_composition":null,"sigma_conversion":null,"sigma_effective":0.01172,"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":0.01172},"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_basis":"column_header","unit_printed":"Å","unit_stored":"Å","value":5.328,"value_printed":5.328,"value_stored":5.328},{"chemical_system":"K","cited_sources":[{"doi":"10.1007/bf02868307","first_author":"King","kind":"assessment","label":"30","paper":"doi:10.1007/bf02868307","reference":"H.W. King, Bull. Alloy Phase Diagrams 2 (1981) 401–402.","status":"resolved","year":"1981"}],"conditions":{"kind":"cited_source","note":"conditions in the cited source"},"corrections":[{"after":"K","before":"GE-K-NA","evidence":{"basis":"overall_composition_all_elements","overall_composition":{"K":1.0,"NA":0.0},"phases":["(K)"]},"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","system_is_state_subsystem":true},"fold_lpo":4,"fold_lso":0,"id":"ORC-CPVQKWDAQE","locator":{"ref":"sha256:93322735d8bc2dbb/p3/tab-1","row":11},"model_unlinked_reason":"reporting paper's own calculation, but no TDB linked to the table","observation_type":"structural_property","origin":{"basis":"cited_reference_is_assessment","class":"model_value","measured_in":"doi:10.1007/bf02868307","own_work_of_paper":false},"overall_composition":{"K":1.0},"overall_composition_basis":"from_formula","overall_composition_stored":{"K":1.0,"NA":0.0},"paper":"doi:10.1016/j.calphad.2012.01.004","paper_id":"doi:10.1016/j.calphad.2012.01.004","phases":[{"label":"(K)"}],"pid":"sha256:93322735d8bc2dbb/p3/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","claude-opus-5.5#2","gemini-3.8-flash","text_layer"],"record_kind":"general_table","source_system":"GE-K-NA","structure":{"prototype":"W"},"system":"K","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":0.04096,"sigma_method":{"basis":"calibrated","ci95":[0.005826,0.012707],"class":"model_calculated","entry":"model/LATTICE_LENGTH","floor":0.0077,"floor_unit":"relative (fraction of the value)","n_pairs":175,"value":0.04096},"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":5.32,"value_stored":0.532},{"chemical_system":"K","conditions":{"kind":"own_work_origin_unspecified"},"corrections":[{"after":"K","before":"GE-K-NA","evidence":{"basis":"overall_composition_all_elements","overall_composition":{"K":1.0,"NA":0.0},"phases":["(K)"]},"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":["state:T_K_explicit","temperature not stated"],"state_fully_specified":false,"system_is_state_subsystem":true},"fold_lpo":4,"fold_lso":0,"id":"ORC-A532IXHNV3","locator":{"ref":"sha256:93322735d8bc2dbb/p3/tab-1","row":12},"observation_type":"structural_property","origin":{"basis":"this_work_kind_unstated","class":"unspecified","measured_in":"doi:10.1016/j.calphad.2012.01.004","own_work_of_paper":true},"overall_composition":{"K":1.0},"overall_composition_basis":"from_formula","overall_composition_stored":{"K":1.0,"NA":0.0},"paper":"doi:10.1016/j.calphad.2012.01.004","paper_id":"doi:10.1016/j.calphad.2012.01.004","phases":[{"label":"(K)"}],"pid":"sha256:93322735d8bc2dbb/p3/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","claude-opus-5.5#2","gemini-3.8-flash","text_layer"],"record_kind":"general_table","source_system":"GE-K-NA","structure":{"prototype":"W"},"system":"K","temperature_basis":"not_printed","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":0.01164,"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":0.01164},"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":5.29,"value_stored":0.529}],"release":"orchid-literature 2026-10-23 (record store db-v2.1: invariant/general v2.1.19r, text+context fixup-20261022)","system":"K"}