{"system":"PD-S","release":"v2026.10","phases":[{"id":"phase:pd-s:a16-orthorhombic","system":"PD-S","elements":["PD","S"],"preferred_name":"ORTHORHOMBIC_A16","status":"assigned","structure":{"structure_type":"st:a16-alpha-s-of128","basis":"standard_name","tier":"A","confidence":"high","label":"from the standard phase name","prototype":"alpha-S","strukturbericht":"A16","pearson":"oF128","space_group":{"number":70,"symbol":"Fddd"}},"candidates":[],"review_reasons":[],"names":[{"name":"tdb:PdS-10Hu.tdb:ORTHORHOMBIC_A16","namespace":"tdb","label":"ORTHORHOMBIC_A16","tdb_sha256":"11a6e85b5b6570eb477a1d6cfa0579b46b6643fcca6807ce0927045f88a4105c"},{"name":"corpus:phase:pd-s:a16-orthorhombic","namespace":"corpus","label":"phase:pd-s:a16-orthorhombic","in_sgte_corpus":false}],"models":[{"tdb":"PdS-10Hu.tdb","path":"databases/sgte-binary/PdS-10Hu.tdb","sha256":"11a6e85b5b6570eb477a1d6cfa0579b46b6643fcca6807ce0927045f88a4105c","phase_name":"ORTHORHOMBIC_A16","type_code":"%","sublattices":[{"site_ratio":1.0,"constituents":["S"]}],"stoichiometric":true,"composition":{"S":1.0},"tdb_definition":{"verbatim":{"phase":{"line_start":48,"line_end":48,"text":"PHASE ORTHORHOMBIC_A16 % 1 1 !"},"constituent":{"line_start":49,"line_end":49,"text":"CONST ORTHORHOMBIC_A16 : S : !"},"type_definitions":[{"line_start":80,"line_end":80,"text":"TYPE-DEF % SEQ * !","type_code":"%","amends":null}]},"parsed":{"phase_name":"ORTHORHOMBIC_A16","type_code":"%","type_codes":["%"],"n_sublattices":1,"site_ratios":[1],"constituents":[["S"]],"major_constituents":[[]],"magnetic":null,"disordered_part":null,"ordered_partner":null},"parameters":{"total":1,"by_kind":{"G":1},"L_by_order":{},"interaction_orders":[],"endmember_G":1},"provenance":{"path":"databases/sgte-binary/PdS-10Hu.tdb","sha256":"11a6e85b5b6570eb477a1d6cfa0579b46b6643fcca6807ce0927045f88a4105c","decoded_as":"utf-8","website_url":"https://orchid-project.org/data/databases/sgte-binary/PdS-10Hu.tdb","github_url":"https://github.com/orchid-calphad/orchid-pipeline/blob/main/databases/sgte-binary/PdS-10Hu.tdb"}},"tdb_comment_structure":["Prototype alpha-S (oF128, Fddd)"]}],"stoichiometry":{"S":1.0},"stability":[{"tdb":"PdS-10Hu.tdb","tdb_sha256":"11a6e85b5b6570eb477a1d6cfa0579b46b6643fcca6807ce0927045f88a4105c","diagram":"phase-diagrams/sgte/PdS-10Hu.json","status":"ok","x_element":"S","stable":true,"T_min_K":300.0,"T_max_K":368.3,"x_min":1.0,"x_max":1.0,"stable_at_top_of_range":false}],"literature":{"values":0,"accepted_values":0,"papers":0},"corpus":{"in_sgte_corpus":false,"phase_mappings":0,"mapping_basis":{},"printed_labels":[]},"references":[{"doi":"10.1016/j.calphad.2010.07.002","citation":"Rongxiang Hu, Michael C. Gao, Ömer N. Doğan, Paul King, Michael Widom, Thermodynamic modeling of the Pd–S system supported by first-principles calculations, Calphad 34, 324-331 (2010).","roles":["assessment that models this phase"],"labels":["ORTHORHOMBIC_A16"],"values":0,"tdb_files":["PdS-10Hu.tdb"]}],"total_papers":1},{"id":"phase:pd-s:bcc-a2","system":"PD-S","elements":["PD","S"],"preferred_name":"BCC_A2","status":"assigned","structure":{"structure_type":"st:a2-w-ci2","basis":"standard_name","tier":"A","confidence":"high","label":"from the standard phase name","prototype":"W","strukturbericht":"A2","pearson":"cI2","space_group":{"number":229,"symbol":"Im-3m"}},"candidates":[],"review_reasons":[],"names":[{"name":"tdb:PdS-10Hu.tdb:BCC_A2","namespace":"tdb","label":"BCC_A2","tdb_sha256":"11a6e85b5b6570eb477a1d6cfa0579b46b6643fcca6807ce0927045f88a4105c"},{"name":"corpus:phase:pd-s:bcc-a2","namespace":"corpus","label":"phase:pd-s:bcc-a2","in_sgte_corpus":false}],"models":[{"tdb":"PdS-10Hu.tdb","path":"databases/sgte-binary/PdS-10Hu.tdb","sha256":"11a6e85b5b6570eb477a1d6cfa0579b46b6643fcca6807ce0927045f88a4105c","phase_name":"BCC_A2","type_code":"%B","sublattices":[{"site_ratio":1.0,"constituents":["PD","S"]},{"site_ratio":3.0,"constituents":["VA"]}],"stoichiometric":false,"composition":null,"tdb_definition":{"verbatim":{"phase":{"line_start":38,"line_end":38,"text":"PHASE BCC_A2 %B 2 1 3 !"},"constituent":{"line_start":39,"line_end":39,"text":"CONST BCC_A2 : PD S : VA : !"},"type_definitions":[{"line_start":80,"line_end":80,"text":"TYPE-DEF % SEQ * !","type_code":"%","amends":null},{"line_start":82,"line_end":82,"text":"TYPE-DEF B GES AMEND_PHASE_DESCRIPTION @ MAGNETIC -1 0.4 !","type_code":"B","amends":"@"}]},"parsed":{"phase_name":"BCC_A2","type_code":"%B","type_codes":["%","B"],"n_sublattices":2,"site_ratios":[1,3],"constituents":[["PD","S"],["VA"]],"major_constituents":[[],[]],"magnetic":{"type_code":"B","afm_factor":-1,"structure_fraction":0.4,"line":82},"disordered_part":null,"ordered_partner":null},"parameters":{"total":2,"by_kind":{"G":2},"L_by_order":{},"interaction_orders":[],"endmember_G":2},"provenance":{"path":"databases/sgte-binary/PdS-10Hu.tdb","sha256":"11a6e85b5b6570eb477a1d6cfa0579b46b6643fcca6807ce0927045f88a4105c","decoded_as":"utf-8","website_url":"https://orchid-project.org/data/databases/sgte-binary/PdS-10Hu.tdb","github_url":"https://github.com/orchid-calphad/orchid-pipeline/blob/main/databases/sgte-binary/PdS-10Hu.tdb"}}}],"stoichiometry":null,"stability":[{"tdb":"PdS-10Hu.tdb","tdb_sha256":"11a6e85b5b6570eb477a1d6cfa0579b46b6643fcca6807ce0927045f88a4105c","diagram":"phase-diagrams/sgte/PdS-10Hu.json","status":"ok","x_element":"S","stable":false}],"literature":{"values":0,"accepted_values":0,"papers":0},"corpus":{"in_sgte_corpus":false,"phase_mappings":0,"mapping_basis":{},"printed_labels":[]},"references":[{"doi":"10.1016/j.calphad.2010.07.002","citation":"Rongxiang Hu, Michael C. Gao, Ömer N. Doğan, Paul King, Michael Widom, Thermodynamic modeling of the Pd–S system supported by first-principles calculations, Calphad 34, 324-331 (2010).","roles":["assessment that models this phase"],"labels":["BCC_A2"],"values":0,"tdb_files":["PdS-10Hu.tdb"]}],"total_papers":1},{"id":"phase:pd-s:fcc-a1","system":"PD-S","elements":["PD","S"],"preferred_name":"FCC_A1","status":"assigned","structure":{"structure_type":"st:a1-cu-cf4","basis":"standard_name","tier":"A","confidence":"high","label":"from the standard phase name","prototype":"Cu","strukturbericht":"A1","pearson":"cF4","space_group":{"number":225,"symbol":"Fm-3m"}},"candidates":[],"review_reasons":[],"names":[{"name":"paper:10.1016/j.calphad.2010.07.002:(Pd)","namespace":"paper","label":"(Pd)","basis":"corpus_mapping:unstated"},{"name":"tdb:PdS-10Hu.tdb:FCC_A1","namespace":"tdb","label":"FCC_A1","tdb_sha256":"11a6e85b5b6570eb477a1d6cfa0579b46b6643fcca6807ce0927045f88a4105c"},{"name":"corpus:phase:pd-s:fcc-a1","namespace":"corpus","label":"phase:pd-s:fcc-a1","in_sgte_corpus":true}],"models":[{"tdb":"PdS-10Hu.tdb","path":"databases/sgte-binary/PdS-10Hu.tdb","sha256":"11a6e85b5b6570eb477a1d6cfa0579b46b6643fcca6807ce0927045f88a4105c","phase_name":"FCC_A1","type_code":"%A","sublattices":[{"site_ratio":1.0,"constituents":["PD","S"]},{"site_ratio":1.0,"constituents":["VA"]}],"stoichiometric":false,"composition":null,"tdb_definition":{"verbatim":{"phase":{"line_start":33,"line_end":33,"text":"PHASE FCC_A1 %A 2 1 1 !"},"constituent":{"line_start":34,"line_end":34,"text":"CONST FCC_A1 : PD S : VA : !"},"type_definitions":[{"line_start":80,"line_end":80,"text":"TYPE-DEF % SEQ * !","type_code":"%","amends":null},{"line_start":81,"line_end":81,"text":"TYPE-DEF A GES AMEND_PHASE_DESCRIPTION @ MAGNETIC -3 0.28 !","type_code":"A","amends":"@"}]},"parsed":{"phase_name":"FCC_A1","type_code":"%A","type_codes":["%","A"],"n_sublattices":2,"site_ratios":[1,1],"constituents":[["PD","S"],["VA"]],"major_constituents":[[],[]],"magnetic":{"type_code":"A","afm_factor":-3,"structure_fraction":0.28,"line":81},"disordered_part":null,"ordered_partner":null},"parameters":{"total":2,"by_kind":{"G":2},"L_by_order":{},"interaction_orders":[],"endmember_G":2},"provenance":{"path":"databases/sgte-binary/PdS-10Hu.tdb","sha256":"11a6e85b5b6570eb477a1d6cfa0579b46b6643fcca6807ce0927045f88a4105c","decoded_as":"utf-8","website_url":"https://orchid-project.org/data/databases/sgte-binary/PdS-10Hu.tdb","github_url":"https://github.com/orchid-calphad/orchid-pipeline/blob/main/databases/sgte-binary/PdS-10Hu.tdb"}}}],"stoichiometry":null,"stability":[{"tdb":"PdS-10Hu.tdb","tdb_sha256":"11a6e85b5b6570eb477a1d6cfa0579b46b6643fcca6807ce0927045f88a4105c","diagram":"phase-diagrams/sgte/PdS-10Hu.json","status":"ok","x_element":"S","stable":true,"T_min_K":300.0,"T_max_K":1852.05,"x_min":0.0,"x_max":0.0,"stable_at_top_of_range":false}],"literature":{"values":2,"accepted_values":2,"papers":1},"corpus":{"in_sgte_corpus":true,"phase_mappings":0,"mapping_basis":{},"printed_labels":[]},"references":[{"doi":"10.1016/j.calphad.2010.07.002","citation":"Rongxiang Hu, Michael C. Gao, Ömer N. Doğan, Paul King, Michael Widom, Thermodynamic modeling of the Pd–S system supported by first-principles calculations, Calphad 34, 324-331 (2010).","roles":["assessment that models this phase","reports values for this phase"],"labels":["(Pd)","FCC_A1"],"values":2,"tdb_files":["PdS-10Hu.tdb"]},{"doi":"10.1007/bf02645396","citation":"H Okamoto, Pd-s (palladium-sulfur), JPE 13, 106-107 (1992).","roles":["cited as the source of values for this phase"],"labels":[],"values":1}],"total_papers":2},{"id":"phase:pd-s:hcp-a3","system":"PD-S","elements":["PD","S"],"preferred_name":"HCP_A3","status":"assigned","structure":{"structure_type":"st:a3-mg-hp2","basis":"standard_name","tier":"A","confidence":"high","label":"from the standard phase name","prototype":"Mg","strukturbericht":"A3","pearson":"hP2","space_group":{"number":194,"symbol":"P6_3/mmc"}},"candidates":[],"review_reasons":[],"names":[{"name":"tdb:PdS-10Hu.tdb:HCP_A3","namespace":"tdb","label":"HCP_A3","tdb_sha256":"11a6e85b5b6570eb477a1d6cfa0579b46b6643fcca6807ce0927045f88a4105c"},{"name":"corpus:phase:pd-s:hcp-a3","namespace":"corpus","label":"phase:pd-s:hcp-a3","in_sgte_corpus":false}],"models":[{"tdb":"PdS-10Hu.tdb","path":"databases/sgte-binary/PdS-10Hu.tdb","sha256":"11a6e85b5b6570eb477a1d6cfa0579b46b6643fcca6807ce0927045f88a4105c","phase_name":"HCP_A3","type_code":"%A","sublattices":[{"site_ratio":1.0,"constituents":["PD"]},{"site_ratio":0.5,"constituents":["VA"]}],"stoichiometric":true,"composition":{"PD":1.0},"tdb_definition":{"verbatim":{"phase":{"line_start":43,"line_end":43,"text":"PHASE HCP_A3 %A 2 1 0.5 !"},"constituent":{"line_start":44,"line_end":44,"text":"CONST HCP_A3 : PD : VA : !"},"type_definitions":[{"line_start":80,"line_end":80,"text":"TYPE-DEF % SEQ * !","type_code":"%","amends":null},{"line_start":81,"line_end":81,"text":"TYPE-DEF A GES AMEND_PHASE_DESCRIPTION @ MAGNETIC -3 0.28 !","type_code":"A","amends":"@"}]},"parsed":{"phase_name":"HCP_A3","type_code":"%A","type_codes":["%","A"],"n_sublattices":2,"site_ratios":[1,0.5],"constituents":[["PD"],["VA"]],"major_constituents":[[],[]],"magnetic":{"type_code":"A","afm_factor":-3,"structure_fraction":0.28,"line":81},"disordered_part":null,"ordered_partner":null},"parameters":{"total":1,"by_kind":{"G":1},"L_by_order":{},"interaction_orders":[],"endmember_G":1},"provenance":{"path":"databases/sgte-binary/PdS-10Hu.tdb","sha256":"11a6e85b5b6570eb477a1d6cfa0579b46b6643fcca6807ce0927045f88a4105c","decoded_as":"utf-8","website_url":"https://orchid-project.org/data/databases/sgte-binary/PdS-10Hu.tdb","github_url":"https://github.com/orchid-calphad/orchid-pipeline/blob/main/databases/sgte-binary/PdS-10Hu.tdb"}}}],"stoichiometry":{"PD":1.0},"stability":[{"tdb":"PdS-10Hu.tdb","tdb_sha256":"11a6e85b5b6570eb477a1d6cfa0579b46b6643fcca6807ce0927045f88a4105c","diagram":"phase-diagrams/sgte/PdS-10Hu.json","status":"ok","x_element":"S","stable":false}],"literature":{"values":0,"accepted_values":0,"papers":0},"corpus":{"in_sgte_corpus":false,"phase_mappings":0,"mapping_basis":{},"printed_labels":[]},"references":[{"doi":"10.1016/j.calphad.2010.07.002","citation":"Rongxiang Hu, Michael C. Gao, Ömer N. Doğan, Paul King, Michael Widom, Thermodynamic modeling of the Pd–S system supported by first-principles calculations, Calphad 34, 324-331 (2010).","roles":["assessment that models this phase"],"labels":["HCP_A3"],"values":0,"tdb_files":["PdS-10Hu.tdb"]}],"total_papers":1},{"id":"phase:pd-s:liquid","system":"PD-S","elements":["PD","S"],"preferred_name":"LIQUID","status":"assigned","structure":{"structure_type":"st:liquid","basis":"liquid","confidence":"high","label":"liquid","prototype":null,"strukturbericht":null,"pearson":null,"space_group":null},"candidates":[],"review_reasons":[],"names":[{"name":"paper:10.1016/j.calphad.2010.07.002:L","namespace":"paper","label":"L","basis":"corpus_mapping:unstated"},{"name":"tdb:PdS-10Hu.tdb:LIQUID","namespace":"tdb","label":"LIQUID","tdb_sha256":"11a6e85b5b6570eb477a1d6cfa0579b46b6643fcca6807ce0927045f88a4105c"},{"name":"corpus:phase:pd-s:liquid","namespace":"corpus","label":"phase:pd-s:liquid","in_sgte_corpus":true}],"models":[{"tdb":"PdS-10Hu.tdb","path":"databases/sgte-binary/PdS-10Hu.tdb","sha256":"11a6e85b5b6570eb477a1d6cfa0579b46b6643fcca6807ce0927045f88a4105c","phase_name":"LIQUID","type_code":"%","sublattices":[{"site_ratio":1.0,"constituents":["PD","S"]}],"stoichiometric":false,"composition":null,"tdb_definition":{"verbatim":{"phase":{"line_start":28,"line_end":28,"text":"PHASE LIQUID:L % 1 1 !"},"constituent":{"line_start":29,"line_end":29,"text":"CONST LIQUID:L : PD S : !"},"type_definitions":[{"line_start":80,"line_end":80,"text":"TYPE-DEF % SEQ * !","type_code":"%","amends":null}]},"parsed":{"phase_name":"LIQUID","type_code":"%","type_codes":["%"],"n_sublattices":1,"site_ratios":[1],"constituents":[["PD","S"]],"major_constituents":[[]],"magnetic":null,"disordered_part":null,"ordered_partner":null},"parameters":{"total":3,"by_kind":{"G":2,"L":1},"L_by_order":{"0":1},"interaction_orders":[0],"endmember_G":2},"provenance":{"path":"databases/sgte-binary/PdS-10Hu.tdb","sha256":"11a6e85b5b6570eb477a1d6cfa0579b46b6643fcca6807ce0927045f88a4105c","decoded_as":"utf-8","website_url":"https://orchid-project.org/data/databases/sgte-binary/PdS-10Hu.tdb","github_url":"https://github.com/orchid-calphad/orchid-pipeline/blob/main/databases/sgte-binary/PdS-10Hu.tdb"}}}],"stoichiometry":null,"stability":[{"tdb":"PdS-10Hu.tdb","tdb_sha256":"11a6e85b5b6570eb477a1d6cfa0579b46b6643fcca6807ce0927045f88a4105c","diagram":"phase-diagrams/sgte/PdS-10Hu.json","status":"ok","x_element":"S","stable":true,"T_min_K":300.0,"T_max_K":2500.0,"x_min":0.0,"x_max":1.0,"stable_at_top_of_range":true}],"literature":{"values":10,"accepted_values":10,"papers":1},"corpus":{"in_sgte_corpus":true,"phase_mappings":0,"mapping_basis":{},"printed_labels":[]},"references":[{"doi":"10.1016/j.calphad.2010.07.002","citation":"Rongxiang Hu, Michael C. Gao, Ömer N. Doğan, Paul King, Michael Widom, Thermodynamic modeling of the Pd–S system supported by first-principles calculations, Calphad 34, 324-331 (2010).","roles":["assessment that models this phase","reports values for this phase"],"labels":["L","LIQUID"],"values":10,"tdb_files":["PdS-10Hu.tdb"]},{"doi":"10.1007/bf02645396","citation":"H Okamoto, Pd-s (palladium-sulfur), JPE 13, 106-107 (1992).","roles":["cited as the source of values for this phase"],"labels":[],"values":5}],"total_papers":2},{"id":"phase:pd-s:pd16s7","system":"PD-S","elements":["PD","S"],"preferred_name":"PD16S7","status":"assigned","structure":{"structure_type":"st:pd16s7-ci46","basis":"dft_unique_match","tier":"B","confidence":"high","label":"DFT-supported","dft":{"mp":"mp-aaaaaapd","oqmd":"oqmd-6171","space_group_number":217,"space_group_symbol":"I-43m"},"prototype":"Pd16S7","strukturbericht":null,"pearson":"cI46","space_group":{"number":217,"symbol":"I-43m"}},"candidates":[],"review_reasons":[],"names":[{"name":"paper:10.1016/j.calphad.2010.07.002:Pd16S7","namespace":"paper","label":"Pd16S7","basis":"corpus_mapping:unstated"},{"name":"tdb:PdS-10Hu.tdb:PD16S7","namespace":"tdb","label":"PD16S7","tdb_sha256":"11a6e85b5b6570eb477a1d6cfa0579b46b6643fcca6807ce0927045f88a4105c"},{"name":"corpus:phase:pd-s:pd16s7","namespace":"corpus","label":"phase:pd-s:pd16s7","in_sgte_corpus":true},{"name":"mp:mp-aaaaaapd","namespace":"mp","label":"mp-aaaaaapd","basis":"dft_unique_match"},{"name":"oqmd:oqmd-6171","namespace":"oqmd","label":"oqmd-6171","basis":"dft_unique_match"}],"models":[{"tdb":"PdS-10Hu.tdb","path":"databases/sgte-binary/PdS-10Hu.tdb","sha256":"11a6e85b5b6570eb477a1d6cfa0579b46b6643fcca6807ce0927045f88a4105c","phase_name":"PD16S7","type_code":"%","sublattices":[{"site_ratio":16.0,"constituents":["PD"]},{"site_ratio":7.0,"constituents":["S"]}],"stoichiometric":true,"composition":{"PD":0.6956521739130435,"S":0.30434782608695654},"tdb_definition":{"verbatim":{"phase":{"line_start":68,"line_end":68,"text":"PHASE PD16S7 % 2 16 7 !"},"constituent":{"line_start":69,"line_end":69,"text":"CONST PD16S7 : PD : S : !"},"type_definitions":[{"line_start":80,"line_end":80,"text":"TYPE-DEF % SEQ * !","type_code":"%","amends":null}]},"parsed":{"phase_name":"PD16S7","type_code":"%","type_codes":["%"],"n_sublattices":2,"site_ratios":[16,7],"constituents":[["PD"],["S"]],"major_constituents":[[],[]],"magnetic":null,"disordered_part":null,"ordered_partner":null},"parameters":{"total":1,"by_kind":{"G":1},"L_by_order":{},"interaction_orders":[],"endmember_G":1},"provenance":{"path":"databases/sgte-binary/PdS-10Hu.tdb","sha256":"11a6e85b5b6570eb477a1d6cfa0579b46b6643fcca6807ce0927045f88a4105c","decoded_as":"utf-8","website_url":"https://orchid-project.org/data/databases/sgte-binary/PdS-10Hu.tdb","github_url":"https://github.com/orchid-calphad/orchid-pipeline/blob/main/databases/sgte-binary/PdS-10Hu.tdb"}},"tdb_comment_structure":["Prototype Pd16S7 (cI46, I-43m)"]}],"stoichiometry":{"PD":0.6956521739130435,"S":0.30434782608695654},"stability":[{"tdb":"PdS-10Hu.tdb","tdb_sha256":"11a6e85b5b6570eb477a1d6cfa0579b46b6643fcca6807ce0927045f88a4105c","diagram":"phase-diagrams/sgte/PdS-10Hu.json","status":"ok","x_element":"S","stable":true,"T_min_K":300.0,"T_max_K":917.23,"x_min":0.30435,"x_max":0.30435,"stable_at_top_of_range":false}],"literature":{"values":9,"accepted_values":9,"papers":1},"corpus":{"in_sgte_corpus":true,"phase_mappings":0,"mapping_basis":{},"printed_labels":[]},"references":[{"doi":"10.1016/j.calphad.2010.07.002","citation":"Rongxiang Hu, Michael C. Gao, Ömer N. Doğan, Paul King, Michael Widom, Thermodynamic modeling of the Pd–S system supported by first-principles calculations, Calphad 34, 324-331 (2010).","roles":["assessment that models this phase","reports values for this phase"],"labels":["PD16S7","Pd16S7"],"values":9,"tdb_files":["PdS-10Hu.tdb"]},{"doi":"10.1007/bf02645396","citation":"H Okamoto, Pd-s (palladium-sulfur), JPE 13, 106-107 (1992).","roles":["cited as the source of values for this phase"],"labels":[],"values":3},{"doi":"10.1006/jcht.1997.0328","citation":"A. Zubkov, T. Fujino, N. Sato, K. Yamada, Enthalpies of formation of the palladium sulphides, The Journal of Chemical Thermodynamics 30, 571-581 (1998).","roles":["cited as the source of values for this phase"],"labels":[],"values":1},{"doi":"10.1007/bf02657499","citation":"Jeffrey R. Taylor, Phase relationships and thermodynamic properties of the Pd-S system, Metall Trans B 16, 143-148 (1985).","roles":["cited as the source of values for this phase"],"labels":[],"values":1}],"total_papers":4},{"id":"phase:pd-s:pd3s","system":"PD-S","elements":["PD","S"],"preferred_name":"PD3S","status":"needs_review","structure":null,"candidates":[{"source":"dft_mp","structure_type":null,"prototype":null,"strukturbericht":null,"pearson":null,"space_group":{"number":63,"symbol":"Cmcm"},"detail":"on-hull MP Pd3S at x(S)=0.2500","material_id":"mp-aaabfuac"},{"source":"dft_oqmd","structure_type":null,"prototype":null,"strukturbericht":null,"pearson":null,"space_group":{"number":63,"symbol":"Cmcm"},"detail":"on-hull OQMD Pd3 S1 at x(S)=0.2500","material_id":"oqmd-1202082"},{"source":"dft_space_group_and_stoichiometry","structure_type":"st:agca3-oc16","prototype":"(AgCa3)","strukturbericht":null,"pearson":"oC16","space_group":{"number":63,"symbol":"Cmcm"},"detail":"space group 63 and stoichiometry match"},{"source":"dft_space_group_and_stoichiometry","structure_type":"st:cd3er-oc16","prototype":"Cd3Er","strukturbericht":null,"pearson":"oC16","space_group":{"number":63,"symbol":"Cmcm"},"detail":"space group 63 and stoichiometry match"},{"source":"dft_space_group_and_stoichiometry","structure_type":"st:cezn3-oc16","prototype":"CeZn3","strukturbericht":null,"pearson":"oC16","space_group":{"number":63,"symbol":"Cmcm"},"detail":"space group 63 and stoichiometry match"},{"source":"dft_space_group_and_stoichiometry","structure_type":"st:dyge3-oc16","prototype":"DyGe3","strukturbericht":null,"pearson":"oC16","space_group":{"number":63,"symbol":"Cmcm"},"detail":"space group 63 and stoichiometry match"},{"source":"dft_space_group_and_stoichiometry","structure_type":"st:e1-a-re3b-oc16","prototype":"Re3B","strukturbericht":"E1_a","pearson":"oC16","space_group":{"number":63,"symbol":"Cmcm"},"detail":"space group 63 and stoichiometry match"},{"source":"dft_space_group_and_stoichiometry","structure_type":"st:ndte3-oc16","prototype":"NdTe3","strukturbericht":null,"pearson":"oC16","space_group":{"number":63,"symbol":"Cmcm"},"detail":"space group 63 and stoichiometry match"},{"source":"literature_printed","structure_type":null,"prototype":"Pd3S","strukturbericht":null,"pearson":"oC16","space_group":null,"detail":"printed with a label mapped to this phase","count":6},{"source":"sgte_mmc2","structure_type":"st:pd3s-oc16","prototype":"Pd3S","strukturbericht":null,"pearson":"oC16","space_group":{"number":40,"symbol":"Ama2"},"detail":"Hallstedt 2025 mmc2 row for PD3S: Pd3S"},{"source":"tdb_comment","structure_type":null,"prototype":"Pd3S","strukturbericht":null,"pearson":"oC16","space_group":{"number":null,"symbol":"Ama2"},"detail":"PdS-10Hu.tdb: 'Prototype Pd3S (oC16, Ama2)'"}],"review_reasons":["assessment_declared_blocked_by:sgte_mmc2_row_disagrees_with_dft","dft_space_group_63_matches_6_structure_types","no_structure_token","sgte_mmc2_row_disagrees_with_dft"],"names":[{"name":"paper:10.1016/j.calphad.2010.07.002:Pd3S","namespace":"paper","label":"Pd3S","basis":"corpus_mapping:unstated"},{"name":"tdb:PdS-10Hu.tdb:PD3S","namespace":"tdb","label":"PD3S","tdb_sha256":"11a6e85b5b6570eb477a1d6cfa0579b46b6643fcca6807ce0927045f88a4105c"},{"name":"corpus:phase:pd-s:pd3s","namespace":"corpus","label":"phase:pd-s:pd3s","in_sgte_corpus":true}],"models":[{"tdb":"PdS-10Hu.tdb","path":"databases/sgte-binary/PdS-10Hu.tdb","sha256":"11a6e85b5b6570eb477a1d6cfa0579b46b6643fcca6807ce0927045f88a4105c","phase_name":"PD3S","type_code":"%","sublattices":[{"site_ratio":3.0,"constituents":["PD"]},{"site_ratio":1.0,"constituents":["S"]}],"stoichiometric":true,"composition":{"PD":0.75,"S":0.25},"tdb_definition":{"verbatim":{"phase":{"line_start":63,"line_end":63,"text":"PHASE PD3S % 2 3 1 !"},"constituent":{"line_start":64,"line_end":64,"text":"CONST PD3S : PD : S : !"},"type_definitions":[{"line_start":80,"line_end":80,"text":"TYPE-DEF % SEQ * !","type_code":"%","amends":null}]},"parsed":{"phase_name":"PD3S","type_code":"%","type_codes":["%"],"n_sublattices":2,"site_ratios":[3,1],"constituents":[["PD"],["S"]],"major_constituents":[[],[]],"magnetic":null,"disordered_part":null,"ordered_partner":null},"parameters":{"total":1,"by_kind":{"G":1},"L_by_order":{},"interaction_orders":[],"endmember_G":1},"provenance":{"path":"databases/sgte-binary/PdS-10Hu.tdb","sha256":"11a6e85b5b6570eb477a1d6cfa0579b46b6643fcca6807ce0927045f88a4105c","decoded_as":"utf-8","website_url":"https://orchid-project.org/data/databases/sgte-binary/PdS-10Hu.tdb","github_url":"https://github.com/orchid-calphad/orchid-pipeline/blob/main/databases/sgte-binary/PdS-10Hu.tdb"}},"tdb_comment_structure":["Prototype Pd3S (oC16, Ama2)"]}],"stoichiometry":{"PD":0.75,"S":0.25},"stability":[{"tdb":"PdS-10Hu.tdb","tdb_sha256":"11a6e85b5b6570eb477a1d6cfa0579b46b6643fcca6807ce0927045f88a4105c","diagram":"phase-diagrams/sgte/PdS-10Hu.json","status":"ok","x_element":"S","stable":true,"T_min_K":836.33,"T_max_K":918.75,"x_min":0.25,"x_max":0.25,"stable_at_top_of_range":false}],"literature":{"values":9,"accepted_values":9,"papers":1},"corpus":{"in_sgte_corpus":true,"phase_mappings":0,"mapping_basis":{},"printed_labels":[]},"references":[{"doi":"10.1016/j.calphad.2010.07.002","citation":"Rongxiang Hu, Michael C. Gao, Ömer N. Doğan, Paul King, Michael Widom, Thermodynamic modeling of the Pd–S system supported by first-principles calculations, Calphad 34, 324-331 (2010).","roles":["assessment that models this phase","reports values for this phase"],"labels":["PD3S","Pd3S"],"values":9,"tdb_files":["PdS-10Hu.tdb"]},{"doi":"10.1007/bf02645396","citation":"H Okamoto, Pd-s (palladium-sulfur), JPE 13, 106-107 (1992).","roles":["cited as the source of values for this phase"],"labels":[],"values":3},{"doi":"10.1006/jcht.1997.0328","citation":"A. Zubkov, T. Fujino, N. Sato, K. Yamada, Enthalpies of formation of the palladium sulphides, The Journal of Chemical Thermodynamics 30, 571-581 (1998).","roles":["cited as the source of values for this phase"],"labels":[],"values":1},{"doi":"10.1007/bf02657499","citation":"Jeffrey R. Taylor, Phase relationships and thermodynamic properties of the Pd-S system, Metall Trans B 16, 143-148 (1985).","roles":["cited as the source of values for this phase"],"labels":[],"values":1}],"total_papers":4},{"id":"phase:pd-s:pd4s","system":"PD-S","elements":["PD","S"],"preferred_name":"PD4S","status":"assigned","structure":{"structure_type":"st:pd4se-tp10","basis":"dft_unique_match","tier":"B","confidence":"high","label":"DFT-supported","dft":{"mp":"mp-aaaaalot","oqmd":"oqmd-4447","space_group_number":114,"space_group_symbol":"P-42_1c"},"prototype":"Pd4Se","strukturbericht":null,"pearson":"tP10","space_group":{"number":114,"symbol":"P-42_1c"}},"candidates":[],"review_reasons":[],"names":[{"name":"paper:10.1016/j.calphad.2010.07.002:Pd4S","namespace":"paper","label":"Pd4S","basis":"corpus_mapping:unstated"},{"name":"tdb:PdS-10Hu.tdb:PD4S","namespace":"tdb","label":"PD4S","tdb_sha256":"11a6e85b5b6570eb477a1d6cfa0579b46b6643fcca6807ce0927045f88a4105c"},{"name":"corpus:phase:pd-s:pd4s","namespace":"corpus","label":"phase:pd-s:pd4s","in_sgte_corpus":true},{"name":"mp:mp-aaaaalot","namespace":"mp","label":"mp-aaaaalot","basis":"dft_unique_match"},{"name":"oqmd:oqmd-4447","namespace":"oqmd","label":"oqmd-4447","basis":"dft_unique_match"}],"models":[{"tdb":"PdS-10Hu.tdb","path":"databases/sgte-binary/PdS-10Hu.tdb","sha256":"11a6e85b5b6570eb477a1d6cfa0579b46b6643fcca6807ce0927045f88a4105c","phase_name":"PD4S","type_code":"%","sublattices":[{"site_ratio":4.0,"constituents":["PD"]},{"site_ratio":1.0,"constituents":["S"]}],"stoichiometric":true,"composition":{"PD":0.8,"S":0.2},"tdb_definition":{"verbatim":{"phase":{"line_start":58,"line_end":58,"text":"PHASE PD4S % 2 4 1 !"},"constituent":{"line_start":59,"line_end":59,"text":"CONST PD4S : PD : S : !"},"type_definitions":[{"line_start":80,"line_end":80,"text":"TYPE-DEF % SEQ * !","type_code":"%","amends":null}]},"parsed":{"phase_name":"PD4S","type_code":"%","type_codes":["%"],"n_sublattices":2,"site_ratios":[4,1],"constituents":[["PD"],["S"]],"major_constituents":[[],[]],"magnetic":null,"disordered_part":null,"ordered_partner":null},"parameters":{"total":1,"by_kind":{"G":1},"L_by_order":{},"interaction_orders":[],"endmember_G":1},"provenance":{"path":"databases/sgte-binary/PdS-10Hu.tdb","sha256":"11a6e85b5b6570eb477a1d6cfa0579b46b6643fcca6807ce0927045f88a4105c","decoded_as":"utf-8","website_url":"https://orchid-project.org/data/databases/sgte-binary/PdS-10Hu.tdb","github_url":"https://github.com/orchid-calphad/orchid-pipeline/blob/main/databases/sgte-binary/PdS-10Hu.tdb"}},"tdb_comment_structure":["Prototype Pd4Se (tP10, P-42_1c)"]}],"stoichiometry":{"PD":0.8,"S":0.2},"stability":[{"tdb":"PdS-10Hu.tdb","tdb_sha256":"11a6e85b5b6570eb477a1d6cfa0579b46b6643fcca6807ce0927045f88a4105c","diagram":"phase-diagrams/sgte/PdS-10Hu.json","status":"ok","x_element":"S","stable":true,"T_min_K":300.0,"T_max_K":1047.05,"x_min":0.2,"x_max":0.2,"stable_at_top_of_range":false}],"literature":{"values":11,"accepted_values":11,"papers":1},"corpus":{"in_sgte_corpus":true,"phase_mappings":0,"mapping_basis":{},"printed_labels":[]},"references":[{"doi":"10.1016/j.calphad.2010.07.002","citation":"Rongxiang Hu, Michael C. Gao, Ömer N. Doğan, Paul King, Michael Widom, Thermodynamic modeling of the Pd–S system supported by first-principles calculations, Calphad 34, 324-331 (2010).","roles":["assessment that models this phase","reports values for this phase"],"labels":["PD4S","Pd4S"],"values":11,"tdb_files":["PdS-10Hu.tdb"]},{"doi":"10.1007/bf02645396","citation":"H Okamoto, Pd-s (palladium-sulfur), JPE 13, 106-107 (1992).","roles":["cited as the source of values for this phase"],"labels":[],"values":3},{"doi":"10.1246/bcsj.35.1543","citation":"Kichizo Niwa, Toshio Yokokawa, Toshiro Isoya, Equilibria in the PdS–H2–Pd4S–H2S and Pd4S–H2–Pd–H2S Systems, Bulletin of the Chemical Society of Japan 35, 1543-1545 (1962).","roles":["cited as the source of values for this phase"],"labels":[],"values":2},{"doi":"10.1006/jcht.1997.0328","citation":"A. Zubkov, T. Fujino, N. Sato, K. Yamada, Enthalpies of formation of the palladium sulphides, The Journal of Chemical Thermodynamics 30, 571-581 (1998).","roles":["cited as the source of values for this phase"],"labels":[],"values":1},{"doi":"10.1007/bf02657499","citation":"Jeffrey R. Taylor, Phase relationships and thermodynamic properties of the Pd-S system, Metall Trans B 16, 143-148 (1985).","roles":["cited as the source of values for this phase"],"labels":[],"values":1}],"total_papers":5},{"id":"phase:pd-s:pds-b34","system":"PD-S","elements":["PD","S"],"preferred_name":"PDS_B34","status":"assigned","structure":{"structure_type":"st:b34-pds-tp16","basis":"standard_name","tier":"A","confidence":"high","label":"from the standard phase name","prototype":"PdS","strukturbericht":"B34","pearson":"tP16","space_group":{"number":84,"symbol":"P4_2/m"}},"candidates":[],"review_reasons":[],"names":[{"name":"paper:10.1016/j.calphad.2010.07.002:PdS","namespace":"paper","label":"PdS","basis":"corpus_mapping:unstated"},{"name":"tdb:PdS-10Hu.tdb:PDS_B34","namespace":"tdb","label":"PDS_B34","tdb_sha256":"11a6e85b5b6570eb477a1d6cfa0579b46b6643fcca6807ce0927045f88a4105c"},{"name":"corpus:phase:pd-s:pds-b34","namespace":"corpus","label":"phase:pd-s:pds-b34","in_sgte_corpus":true}],"models":[{"tdb":"PdS-10Hu.tdb","path":"databases/sgte-binary/PdS-10Hu.tdb","sha256":"11a6e85b5b6570eb477a1d6cfa0579b46b6643fcca6807ce0927045f88a4105c","phase_name":"PDS_B34","type_code":"%","sublattices":[{"site_ratio":1.0,"constituents":["PD"]},{"site_ratio":1.0,"constituents":["S"]}],"stoichiometric":true,"composition":{"PD":0.5,"S":0.5},"tdb_definition":{"verbatim":{"phase":{"line_start":73,"line_end":73,"text":"PHASE PDS_B34 % 2 1 1 !"},"constituent":{"line_start":74,"line_end":74,"text":"CONST PDS_B34 : PD : S : !"},"type_definitions":[{"line_start":80,"line_end":80,"text":"TYPE-DEF % SEQ * !","type_code":"%","amends":null}]},"parsed":{"phase_name":"PDS_B34","type_code":"%","type_codes":["%"],"n_sublattices":2,"site_ratios":[1,1],"constituents":[["PD"],["S"]],"major_constituents":[[],[]],"magnetic":null,"disordered_part":null,"ordered_partner":null},"parameters":{"total":1,"by_kind":{"G":1},"L_by_order":{},"interaction_orders":[],"endmember_G":1},"provenance":{"path":"databases/sgte-binary/PdS-10Hu.tdb","sha256":"11a6e85b5b6570eb477a1d6cfa0579b46b6643fcca6807ce0927045f88a4105c","decoded_as":"utf-8","website_url":"https://orchid-project.org/data/databases/sgte-binary/PdS-10Hu.tdb","github_url":"https://github.com/orchid-calphad/orchid-pipeline/blob/main/databases/sgte-binary/PdS-10Hu.tdb"}},"tdb_comment_structure":["Prototype PdS (tP16, P4_2/m)"]}],"stoichiometry":{"PD":0.5,"S":0.5},"stability":[{"tdb":"PdS-10Hu.tdb","tdb_sha256":"11a6e85b5b6570eb477a1d6cfa0579b46b6643fcca6807ce0927045f88a4105c","diagram":"phase-diagrams/sgte/PdS-10Hu.json","status":"ok","x_element":"S","stable":true,"T_min_K":300.0,"T_max_K":1272.85,"x_min":0.5,"x_max":0.5,"stable_at_top_of_range":false}],"literature":{"values":9,"accepted_values":9,"papers":1},"corpus":{"in_sgte_corpus":true,"phase_mappings":0,"mapping_basis":{},"printed_labels":[]},"references":[{"doi":"10.1016/j.calphad.2010.07.002","citation":"Rongxiang Hu, Michael C. Gao, Ömer N. Doğan, Paul King, Michael Widom, Thermodynamic modeling of the Pd–S system supported by first-principles calculations, Calphad 34, 324-331 (2010).","roles":["assessment that models this phase","reports values for this phase"],"labels":["PDS_B34","PdS"],"values":9,"tdb_files":["PdS-10Hu.tdb"]},{"doi":"10.1007/bf02645396","citation":"H Okamoto, Pd-s (palladium-sulfur), JPE 13, 106-107 (1992).","roles":["cited as the source of values for this phase"],"labels":[],"values":2},{"doi":"10.1246/bcsj.35.1543","citation":"Kichizo Niwa, Toshio Yokokawa, Toshiro Isoya, Equilibria in the PdS–H2–Pd4S–H2S and Pd4S–H2–Pd–H2S Systems, Bulletin of the Chemical Society of Japan 35, 1543-1545 (1962).","roles":["cited as the source of values for this phase"],"labels":[],"values":2},{"doi":"10.1006/jcht.1997.0328","citation":"A. Zubkov, T. Fujino, N. Sato, K. Yamada, Enthalpies of formation of the palladium sulphides, The Journal of Chemical Thermodynamics 30, 571-581 (1998).","roles":["cited as the source of values for this phase"],"labels":[],"values":1},{"doi":"10.1007/bf02657499","citation":"Jeffrey R. Taylor, Phase relationships and thermodynamic properties of the Pd-S system, Metall Trans B 16, 143-148 (1985).","roles":["cited as the source of values for this phase"],"labels":[],"values":1}],"total_papers":5},{"id":"phase:pd-s:s-monoclinic","system":"PD-S","elements":["PD","S"],"preferred_name":"MONOCLINIC_S","status":"needs_review","structure":null,"candidates":[{"source":"sgte_mmc2","structure_type":"st:beta-s-mp48","prototype":"beta-S","strukturbericht":null,"pearson":"mP48","space_group":{"number":14,"symbol":"P2_1/c"},"detail":"Hallstedt 2025 mmc2 row for MONOCLINIC_S: beta-S"},{"source":"tdb_comment","structure_type":null,"prototype":"beta-S","strukturbericht":null,"pearson":"mP48","space_group":{"number":null,"symbol":"P2_1/a"},"detail":"PdS-10Hu.tdb: 'Prototype beta-S (mP48, P2_1/a)'"}],"review_reasons":["name_has_descriptive_tokens:MONOCLINIC","no_structure_token"],"names":[{"name":"tdb:PdS-10Hu.tdb:MONOCLINIC_S","namespace":"tdb","label":"MONOCLINIC_S","tdb_sha256":"11a6e85b5b6570eb477a1d6cfa0579b46b6643fcca6807ce0927045f88a4105c"},{"name":"corpus:phase:pd-s:s-monoclinic","namespace":"corpus","label":"phase:pd-s:s-monoclinic","in_sgte_corpus":false}],"models":[{"tdb":"PdS-10Hu.tdb","path":"databases/sgte-binary/PdS-10Hu.tdb","sha256":"11a6e85b5b6570eb477a1d6cfa0579b46b6643fcca6807ce0927045f88a4105c","phase_name":"MONOCLINIC_S","type_code":"%","sublattices":[{"site_ratio":1.0,"constituents":["S"]}],"stoichiometric":true,"composition":{"S":1.0},"tdb_definition":{"verbatim":{"phase":{"line_start":53,"line_end":53,"text":"PHASE MONOCLINIC_S % 1 1 !"},"constituent":{"line_start":54,"line_end":54,"text":"CONST MONOCLINIC_S : S : !"},"type_definitions":[{"line_start":80,"line_end":80,"text":"TYPE-DEF % SEQ * !","type_code":"%","amends":null}]},"parsed":{"phase_name":"MONOCLINIC_S","type_code":"%","type_codes":["%"],"n_sublattices":1,"site_ratios":[1],"constituents":[["S"]],"major_constituents":[[]],"magnetic":null,"disordered_part":null,"ordered_partner":null},"parameters":{"total":1,"by_kind":{"G":1},"L_by_order":{},"interaction_orders":[],"endmember_G":1},"provenance":{"path":"databases/sgte-binary/PdS-10Hu.tdb","sha256":"11a6e85b5b6570eb477a1d6cfa0579b46b6643fcca6807ce0927045f88a4105c","decoded_as":"utf-8","website_url":"https://orchid-project.org/data/databases/sgte-binary/PdS-10Hu.tdb","github_url":"https://github.com/orchid-calphad/orchid-pipeline/blob/main/databases/sgte-binary/PdS-10Hu.tdb"}},"tdb_comment_structure":["Prototype beta-S (mP48, P2_1/a)"]}],"stoichiometry":{"S":1.0},"stability":[{"tdb":"PdS-10Hu.tdb","tdb_sha256":"11a6e85b5b6570eb477a1d6cfa0579b46b6643fcca6807ce0927045f88a4105c","diagram":"phase-diagrams/sgte/PdS-10Hu.json","status":"ok","x_element":"S","stable":true,"T_min_K":368.3,"T_max_K":2499.55,"x_min":1.0,"x_max":1.0,"stable_at_top_of_range":true}],"literature":{"values":0,"accepted_values":0,"papers":0},"corpus":{"in_sgte_corpus":false,"phase_mappings":0,"mapping_basis":{},"printed_labels":[]},"references":[{"doi":"10.1016/j.calphad.2010.07.002","citation":"Rongxiang Hu, Michael C. Gao, Ömer N. Doğan, Paul King, Michael Widom, Thermodynamic modeling of the Pd–S system supported by first-principles calculations, Calphad 34, 324-331 (2010).","roles":["assessment that models this phase"],"labels":["MONOCLINIC_S"],"values":0,"tdb_files":["PdS-10Hu.tdb"]}],"total_papers":1}],"structure_types":{"st:a1-cu-cf4":{"id":"st:a1-cu-cf4","prototype":"Cu","prototype_spellings":[],"strukturbericht":"A1","pearson":"cF4","space_group":{"number":225,"symbol":"Fm-3m"},"stoichiometry":null,"sources":[{"citation":"B. Hallstedt, The SGTE collection of binary datasets, Calphad 89 (2025) 102833, supplementary crystallographic table (mmc2)","doi":"10.1016/j.calphad.2025.102833","license":"CC BY 4.0","rows":4},{"citation":"P. Villars, L. D. Calvert, Pearson's Handbook of Crystallographic Data for Intermetallic Phases, 2nd ed., ASM International (1991)","doi":null},{"citation":"M. J. Mehl et al., The AFLOW Library of Crystallographic Prototypes: Part 1, Comput. Mater. Sci. 136 (2017) S1-S828","doi":"10.1016/j.commatsci.2017.01.017"}],"verification":"built-in row confirmed by Hallstedt 2025 mmc2 (Strukturbericht, Pearson, space group)","registry_phases":1177},"st:a16-alpha-s-of128":{"id":"st:a16-alpha-s-of128","prototype":"alpha-S","prototype_spellings":[],"strukturbericht":"A16","pearson":"oF128","space_group":{"number":70,"symbol":"Fddd"},"stoichiometry":null,"sources":[{"citation":"B. Hallstedt, The SGTE collection of binary datasets, Calphad 89 (2025) 102833, supplementary crystallographic table (mmc2)","doi":"10.1016/j.calphad.2025.102833","license":"CC BY 4.0","rows":1}],"verification":"in Hallstedt 2025 mmc2","registry_phases":15},"st:a2-w-ci2":{"id":"st:a2-w-ci2","prototype":"W","prototype_spellings":[],"strukturbericht":"A2","pearson":"cI2","space_group":{"number":229,"symbol":"Im-3m"},"stoichiometry":null,"sources":[{"citation":"B. Hallstedt, The SGTE collection of binary datasets, Calphad 89 (2025) 102833, supplementary crystallographic table (mmc2)","doi":"10.1016/j.calphad.2025.102833","license":"CC BY 4.0","rows":7},{"citation":"P. Villars, L. D. Calvert, Pearson's Handbook of Crystallographic Data for Intermetallic Phases, 2nd ed., ASM International (1991)","doi":null},{"citation":"M. J. Mehl et al., The AFLOW Library of Crystallographic Prototypes: Part 1, Comput. Mater. Sci. 136 (2017) S1-S828","doi":"10.1016/j.commatsci.2017.01.017"}],"verification":"built-in row confirmed by Hallstedt 2025 mmc2 (Strukturbericht, Pearson, space group)","registry_phases":1216},"st:a3-mg-hp2":{"id":"st:a3-mg-hp2","prototype":"Mg","prototype_spellings":[],"strukturbericht":"A3","pearson":"hP2","space_group":{"number":194,"symbol":"P6_3/mmc"},"stoichiometry":null,"sources":[{"citation":"B. Hallstedt, The SGTE collection of binary datasets, Calphad 89 (2025) 102833, supplementary crystallographic table (mmc2)","doi":"10.1016/j.calphad.2025.102833","license":"CC BY 4.0","rows":15},{"citation":"P. Villars, L. D. Calvert, Pearson's Handbook of Crystallographic Data for Intermetallic Phases, 2nd ed., ASM International (1991)","doi":null},{"citation":"M. J. Mehl et al., The AFLOW Library of Crystallographic Prototypes: Part 1, Comput. Mater. Sci. 136 (2017) S1-S828","doi":"10.1016/j.commatsci.2017.01.017"}],"verification":"built-in row confirmed by Hallstedt 2025 mmc2 (Strukturbericht, Pearson, space group)","registry_phases":1210},"st:b34-pds-tp16":{"id":"st:b34-pds-tp16","prototype":"PdS","prototype_spellings":[],"strukturbericht":"B34","pearson":"tP16","space_group":{"number":84,"symbol":"P4_2/m"},"stoichiometry":"Pd1S1","sources":[{"citation":"B. Hallstedt, The SGTE collection of binary datasets, Calphad 89 (2025) 102833, supplementary crystallographic table (mmc2)","doi":"10.1016/j.calphad.2025.102833","license":"CC BY 4.0","rows":1}],"verification":"in Hallstedt 2025 mmc2","registry_phases":1},"st:liquid":{"id":"st:liquid","prototype":null,"prototype_spellings":[],"strukturbericht":null,"pearson":null,"space_group":null,"stoichiometry":null,"sources":[],"verification":"definition (non-crystalline)","registry_phases":1304},"st:pd16s7-ci46":{"id":"st:pd16s7-ci46","prototype":"Pd16S7","prototype_spellings":[],"strukturbericht":null,"pearson":"cI46","space_group":{"number":217,"symbol":"I-43m"},"stoichiometry":"Pd16S7","sources":[{"citation":"B. Hallstedt, The SGTE collection of binary datasets, Calphad 89 (2025) 102833, supplementary crystallographic table (mmc2)","doi":"10.1016/j.calphad.2025.102833","license":"CC BY 4.0","rows":1}],"verification":"in Hallstedt 2025 mmc2","registry_phases":1},"st:pd4se-tp10":{"id":"st:pd4se-tp10","prototype":"Pd4Se","prototype_spellings":[],"strukturbericht":null,"pearson":"tP10","space_group":{"number":114,"symbol":"P-42_1c"},"stoichiometry":"Pd4Se1","sources":[{"citation":"B. Hallstedt, The SGTE collection of binary datasets, Calphad 89 (2025) 102833, supplementary crystallographic table (mmc2)","doi":"10.1016/j.calphad.2025.102833","license":"CC BY 4.0","rows":2}],"verification":"in Hallstedt 2025 mmc2","registry_phases":2}},"cite_as":{"dataset":"phase-registry","version":"2026.10","release_tag":"v2026.10","license":"CC-BY-4.0","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.","title":"ORCHID-Registry: phase registry of binary systems","doi":"10.5281/zenodo.23735970","url":"https://doi.org/10.5281/zenodo.23735970","text":"R. Arróyave, J. Saal, D. Shin, ORCHID-Registry: phase registry of binary systems (version 2026.10; Version 1, machine-extracted), Zenodo (2026). https://doi.org/10.5281/zenodo.23735970","bibtex":"@misc{orchid_phase_registry_2026,\n  author    = {Arr{\\'o}yave, Raymundo and Saal, James and Shin, Dongwon},\n  title     = {{ORCHID-Registry: phase registry of binary systems}},\n  version   = {2026.10},\n  publisher = {Zenodo},\n  year      = {2026},\n  doi       = {10.5281/zenodo.23735970},\n  url       = {https://doi.org/10.5281/zenodo.23735970},\n  note      = {Version 1, machine-extracted}\n}","also_cite":["B. Hallstedt, The SGTE collection of binary datasets, Calphad 89 (2025) 102833, https://doi.org/10.1016/j.calphad.2025.102833 (CC BY 4.0), and the original assessment named in each file","A. Jain et al., The Materials Project: A materials genome approach to accelerating materials innovation, APL Materials 1 (2013) 011002, https://doi.org/10.1063/1.4812323 (CC BY 4.0)","J. E. Saal et al., JOM 65 (2013) 1501, https://doi.org/10.1007/s11837-013-0755-4 and S. Kirklin et al., npj Comput. Mater. 1 (2015) 15010, https://doi.org/10.1038/npjcompumats.2015.10 (CC BY 4.0)","the original source of every value you use (paper_citation / paper_doi, and cited_dois for values the paper cites from earlier work)"],"part_of":{"title":"ORCHID data: umbrella record of the ORCHID datasets","doi":"10.5281/zenodo.23736065","url":"https://doi.org/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","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}"}}}
