{"system":"S-TI","release":"v2026.10","phases":[{"id":"phase:s-ti:a16-orthorhombic","system":"S-TI","elements":["S","TI"],"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:TiS-17Hir.tdb:ORTHORHOMBIC_A16","namespace":"tdb","label":"ORTHORHOMBIC_A16","tdb_sha256":"f4b8b71ea42781341291aec84f94e1247e730164d0ba5ad28bb6c6469649373c"},{"name":"corpus:phase:s-ti:a16-orthorhombic","namespace":"corpus","label":"phase:s-ti:a16-orthorhombic","in_sgte_corpus":false}],"models":[{"tdb":"TiS-17Hir.tdb","path":"databases/sgte-binary/TiS-17Hir.tdb","sha256":"f4b8b71ea42781341291aec84f94e1247e730164d0ba5ad28bb6c6469649373c","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":50,"line_end":50,"text":"PHASE ORTHORHOMBIC_A16 % 1 1 !"},"constituent":{"line_start":51,"line_end":51,"text":"CONST ORTHORHOMBIC_A16 : S : !"},"type_definitions":[{"line_start":97,"line_end":97,"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":0,"by_kind":{},"L_by_order":{},"interaction_orders":[],"endmember_G":0},"provenance":{"path":"databases/sgte-binary/TiS-17Hir.tdb","sha256":"f4b8b71ea42781341291aec84f94e1247e730164d0ba5ad28bb6c6469649373c","decoded_as":"utf-8","website_url":"https://orchid-project.org/data/databases/sgte-binary/TiS-17Hir.tdb","github_url":"https://github.com/orchid-calphad/orchid-pipeline/blob/main/databases/sgte-binary/TiS-17Hir.tdb"}},"tdb_comment_structure":["Prototype alpha-S (oF128, Fddd)"]}],"stoichiometry":{"S":1.0},"stability":[{"tdb":"TiS-17Hir.tdb","tdb_sha256":"f4b8b71ea42781341291aec84f94e1247e730164d0ba5ad28bb6c6469649373c","diagram":"phase-diagrams/sgte/TiS-17Hir.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.2017.02.006","citation":"K. Hirata, S. Iikubo, H. Fujimoto, H. Ohtani, Calphad, 57, 62-77(2017).","roles":["assessment that models this phase"],"labels":["ORTHORHOMBIC_A16"],"values":0,"tdb_files":["TiS-17Hir.tdb"]}],"total_papers":1},{"id":"phase:s-ti:bcc-a2","system":"S-TI","elements":["S","TI"],"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:TiS-17Hir.tdb:BCC_A2","namespace":"tdb","label":"BCC_A2","tdb_sha256":"f4b8b71ea42781341291aec84f94e1247e730164d0ba5ad28bb6c6469649373c"},{"name":"corpus:phase:s-ti:bcc-a2","namespace":"corpus","label":"phase:s-ti:bcc-a2","in_sgte_corpus":false}],"models":[{"tdb":"TiS-17Hir.tdb","path":"databases/sgte-binary/TiS-17Hir.tdb","sha256":"f4b8b71ea42781341291aec84f94e1247e730164d0ba5ad28bb6c6469649373c","phase_name":"BCC_A2","type_code":"%B","sublattices":[{"site_ratio":1.0,"constituents":["S","TI"]},{"site_ratio":3.0,"constituents":["VA"]}],"stoichiometric":false,"composition":null,"tdb_definition":{"verbatim":{"phase":{"line_start":40,"line_end":40,"text":"PHASE BCC_A2 %B 2 1 3 !"},"constituent":{"line_start":41,"line_end":41,"text":"CONST BCC_A2 : S TI% : VA : !"},"type_definitions":[{"line_start":97,"line_end":97,"text":"TYPE-DEF % SEQ * !","type_code":"%","amends":null},{"line_start":99,"line_end":99,"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":[["S","TI%"],["VA"]],"major_constituents":[["TI"],[]],"magnetic":{"type_code":"B","afm_factor":-1,"structure_fraction":0.4,"line":99},"disordered_part":null,"ordered_partner":null},"parameters":{"total":5,"by_kind":{"G":2,"L":3},"L_by_order":{"0":1,"1":1,"2":1},"interaction_orders":[0,1,2],"endmember_G":2},"provenance":{"path":"databases/sgte-binary/TiS-17Hir.tdb","sha256":"f4b8b71ea42781341291aec84f94e1247e730164d0ba5ad28bb6c6469649373c","decoded_as":"utf-8","website_url":"https://orchid-project.org/data/databases/sgte-binary/TiS-17Hir.tdb","github_url":"https://github.com/orchid-calphad/orchid-pipeline/blob/main/databases/sgte-binary/TiS-17Hir.tdb"}}}],"stoichiometry":null,"stability":[{"tdb":"TiS-17Hir.tdb","tdb_sha256":"f4b8b71ea42781341291aec84f94e1247e730164d0ba5ad28bb6c6469649373c","diagram":"phase-diagrams/sgte/TiS-17Hir.json","status":"ok","x_element":"S","stable":true,"T_min_K":300.05,"T_max_K":2499.73,"x_min":0.0,"x_max":0.0,"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.2017.02.006","citation":"K. Hirata, S. Iikubo, H. Fujimoto, H. Ohtani, Calphad, 57, 62-77(2017).","roles":["assessment that models this phase"],"labels":["BCC_A2"],"values":0,"tdb_files":["TiS-17Hir.tdb"]}],"total_papers":1},{"id":"phase:s-ti:fcc-a1","system":"S-TI","elements":["S","TI"],"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":"tdb:TiS-17Hir.tdb:FCC_A1","namespace":"tdb","label":"FCC_A1","tdb_sha256":"f4b8b71ea42781341291aec84f94e1247e730164d0ba5ad28bb6c6469649373c"},{"name":"corpus:phase:s-ti:fcc-a1","namespace":"corpus","label":"phase:s-ti:fcc-a1","in_sgte_corpus":false}],"models":[{"tdb":"TiS-17Hir.tdb","path":"databases/sgte-binary/TiS-17Hir.tdb","sha256":"f4b8b71ea42781341291aec84f94e1247e730164d0ba5ad28bb6c6469649373c","phase_name":"FCC_A1","type_code":"%A","sublattices":[{"site_ratio":1.0,"constituents":["S","TI"]},{"site_ratio":1.0,"constituents":["VA"]}],"stoichiometric":false,"composition":null,"tdb_definition":{"verbatim":{"phase":{"line_start":35,"line_end":35,"text":"PHASE FCC_A1 %A 2 1 1 !"},"constituent":{"line_start":36,"line_end":36,"text":"CONST FCC_A1 : S TI : VA : !"},"type_definitions":[{"line_start":97,"line_end":97,"text":"TYPE-DEF % SEQ * !","type_code":"%","amends":null},{"line_start":98,"line_end":98,"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":[["S","TI"],["VA"]],"major_constituents":[[],[]],"magnetic":{"type_code":"A","afm_factor":-3,"structure_fraction":0.28,"line":98},"disordered_part":null,"ordered_partner":null},"parameters":{"total":5,"by_kind":{"G":2,"L":3},"L_by_order":{"0":1,"1":1,"2":1},"interaction_orders":[0,1,2],"endmember_G":2},"provenance":{"path":"databases/sgte-binary/TiS-17Hir.tdb","sha256":"f4b8b71ea42781341291aec84f94e1247e730164d0ba5ad28bb6c6469649373c","decoded_as":"utf-8","website_url":"https://orchid-project.org/data/databases/sgte-binary/TiS-17Hir.tdb","github_url":"https://github.com/orchid-calphad/orchid-pipeline/blob/main/databases/sgte-binary/TiS-17Hir.tdb"}}}],"stoichiometry":null,"stability":[{"tdb":"TiS-17Hir.tdb","tdb_sha256":"f4b8b71ea42781341291aec84f94e1247e730164d0ba5ad28bb6c6469649373c","diagram":"phase-diagrams/sgte/TiS-17Hir.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.2017.02.006","citation":"K. Hirata, S. Iikubo, H. Fujimoto, H. Ohtani, Calphad, 57, 62-77(2017).","roles":["assessment that models this phase"],"labels":["FCC_A1"],"values":0,"tdb_files":["TiS-17Hir.tdb"]}],"total_papers":1},{"id":"phase:s-ti:hcp-a3","system":"S-TI","elements":["S","TI"],"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:TiS-17Hir.tdb:HCP_A3","namespace":"tdb","label":"HCP_A3","tdb_sha256":"f4b8b71ea42781341291aec84f94e1247e730164d0ba5ad28bb6c6469649373c"},{"name":"corpus:phase:s-ti:hcp-a3","namespace":"corpus","label":"phase:s-ti:hcp-a3","in_sgte_corpus":false}],"models":[{"tdb":"TiS-17Hir.tdb","path":"databases/sgte-binary/TiS-17Hir.tdb","sha256":"f4b8b71ea42781341291aec84f94e1247e730164d0ba5ad28bb6c6469649373c","phase_name":"HCP_A3","type_code":"%A","sublattices":[{"site_ratio":1.0,"constituents":["S","TI"]},{"site_ratio":0.5,"constituents":["VA"]}],"stoichiometric":false,"composition":null,"tdb_definition":{"verbatim":{"phase":{"line_start":45,"line_end":45,"text":"PHASE HCP_A3 %A 2 1 0.5 !"},"constituent":{"line_start":46,"line_end":46,"text":"CONST HCP_A3 : S TI% : VA : !"},"type_definitions":[{"line_start":97,"line_end":97,"text":"TYPE-DEF % SEQ * !","type_code":"%","amends":null},{"line_start":98,"line_end":98,"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":[["S","TI%"],["VA"]],"major_constituents":[["TI"],[]],"magnetic":{"type_code":"A","afm_factor":-3,"structure_fraction":0.28,"line":98},"disordered_part":null,"ordered_partner":null},"parameters":{"total":4,"by_kind":{"G":2,"L":2},"L_by_order":{"0":1,"1":1},"interaction_orders":[0,1],"endmember_G":2},"provenance":{"path":"databases/sgte-binary/TiS-17Hir.tdb","sha256":"f4b8b71ea42781341291aec84f94e1247e730164d0ba5ad28bb6c6469649373c","decoded_as":"utf-8","website_url":"https://orchid-project.org/data/databases/sgte-binary/TiS-17Hir.tdb","github_url":"https://github.com/orchid-calphad/orchid-pipeline/blob/main/databases/sgte-binary/TiS-17Hir.tdb"}}}],"stoichiometry":null,"stability":[{"tdb":"TiS-17Hir.tdb","tdb_sha256":"f4b8b71ea42781341291aec84f94e1247e730164d0ba5ad28bb6c6469649373c","diagram":"phase-diagrams/sgte/TiS-17Hir.json","status":"ok","x_element":"S","stable":true,"T_min_K":300.0,"T_max_K":1155.05,"x_min":0.0,"x_max":2e-05,"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.2017.02.006","citation":"K. Hirata, S. Iikubo, H. Fujimoto, H. Ohtani, Calphad, 57, 62-77(2017).","roles":["assessment that models this phase"],"labels":["HCP_A3"],"values":0,"tdb_files":["TiS-17Hir.tdb"]}],"total_papers":1},{"id":"phase:s-ti:liquid","system":"S-TI","elements":["S","TI"],"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":"tdb:TiS-17Hir.tdb:LIQUID","namespace":"tdb","label":"LIQUID","tdb_sha256":"f4b8b71ea42781341291aec84f94e1247e730164d0ba5ad28bb6c6469649373c"},{"name":"corpus:phase:s-ti:liquid","namespace":"corpus","label":"phase:s-ti:liquid","in_sgte_corpus":false}],"models":[{"tdb":"TiS-17Hir.tdb","path":"databases/sgte-binary/TiS-17Hir.tdb","sha256":"f4b8b71ea42781341291aec84f94e1247e730164d0ba5ad28bb6c6469649373c","phase_name":"LIQUID","type_code":"%","sublattices":[{"site_ratio":1.0,"constituents":["S","TI"]}],"stoichiometric":false,"composition":null,"tdb_definition":{"verbatim":{"phase":{"line_start":30,"line_end":30,"text":"PHASE LIQUID:L % 1 1 !"},"constituent":{"line_start":31,"line_end":31,"text":"CONST LIQUID:L : S TI : !"},"type_definitions":[{"line_start":97,"line_end":97,"text":"TYPE-DEF % SEQ * !","type_code":"%","amends":null}]},"parsed":{"phase_name":"LIQUID","type_code":"%","type_codes":["%"],"n_sublattices":1,"site_ratios":[1],"constituents":[["S","TI"]],"major_constituents":[[]],"magnetic":null,"disordered_part":null,"ordered_partner":null},"parameters":{"total":6,"by_kind":{"G":2,"L":4},"L_by_order":{"0":1,"1":1,"2":1,"3":1},"interaction_orders":[0,1,2,3],"endmember_G":2},"provenance":{"path":"databases/sgte-binary/TiS-17Hir.tdb","sha256":"f4b8b71ea42781341291aec84f94e1247e730164d0ba5ad28bb6c6469649373c","decoded_as":"utf-8","website_url":"https://orchid-project.org/data/databases/sgte-binary/TiS-17Hir.tdb","github_url":"https://github.com/orchid-calphad/orchid-pipeline/blob/main/databases/sgte-binary/TiS-17Hir.tdb"}}}],"stoichiometry":null,"stability":[{"tdb":"TiS-17Hir.tdb","tdb_sha256":"f4b8b71ea42781341291aec84f94e1247e730164d0ba5ad28bb6c6469649373c","diagram":"phase-diagrams/sgte/TiS-17Hir.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":0,"accepted_values":0,"papers":0},"corpus":{"in_sgte_corpus":false,"phase_mappings":0,"mapping_basis":{},"printed_labels":[]},"references":[{"doi":"10.1016/j.calphad.2017.02.006","citation":"K. Hirata, S. Iikubo, H. Fujimoto, H. Ohtani, Calphad, 57, 62-77(2017).","roles":["assessment that models this phase"],"labels":["LIQUID"],"values":0,"tdb_files":["TiS-17Hir.tdb"]}],"total_papers":1},{"id":"phase:s-ti:s-monoclinic","system":"S-TI","elements":["S","TI"],"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":"TiS-17Hir.tdb: 'Prototype beta-S (mP48, P2_1/a)'"}],"review_reasons":["name_has_descriptive_tokens:MONOCLINIC","no_structure_token"],"names":[{"name":"tdb:TiS-17Hir.tdb:MONOCLINIC_S","namespace":"tdb","label":"MONOCLINIC_S","tdb_sha256":"f4b8b71ea42781341291aec84f94e1247e730164d0ba5ad28bb6c6469649373c"},{"name":"corpus:phase:s-ti:s-monoclinic","namespace":"corpus","label":"phase:s-ti:s-monoclinic","in_sgte_corpus":false}],"models":[{"tdb":"TiS-17Hir.tdb","path":"databases/sgte-binary/TiS-17Hir.tdb","sha256":"f4b8b71ea42781341291aec84f94e1247e730164d0ba5ad28bb6c6469649373c","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":55,"line_end":55,"text":"PHASE MONOCLINIC_S % 1 1 !"},"constituent":{"line_start":56,"line_end":56,"text":"CONST MONOCLINIC_S : S : !"},"type_definitions":[{"line_start":97,"line_end":97,"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":0,"by_kind":{},"L_by_order":{},"interaction_orders":[],"endmember_G":0},"provenance":{"path":"databases/sgte-binary/TiS-17Hir.tdb","sha256":"f4b8b71ea42781341291aec84f94e1247e730164d0ba5ad28bb6c6469649373c","decoded_as":"utf-8","website_url":"https://orchid-project.org/data/databases/sgte-binary/TiS-17Hir.tdb","github_url":"https://github.com/orchid-calphad/orchid-pipeline/blob/main/databases/sgte-binary/TiS-17Hir.tdb"}},"tdb_comment_structure":["Prototype beta-S (mP48, P2_1/a)"]}],"stoichiometry":{"S":1.0},"stability":[{"tdb":"TiS-17Hir.tdb","tdb_sha256":"f4b8b71ea42781341291aec84f94e1247e730164d0ba5ad28bb6c6469649373c","diagram":"phase-diagrams/sgte/TiS-17Hir.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.2017.02.006","citation":"K. Hirata, S. Iikubo, H. Fujimoto, H. Ohtani, Calphad, 57, 62-77(2017).","roles":["assessment that models this phase"],"labels":["MONOCLINIC_S"],"values":0,"tdb_files":["TiS-17Hir.tdb"]}],"total_papers":1},{"id":"phase:s-ti:ti2s","system":"S-TI","elements":["S","TI"],"preferred_name":"TI2S","status":"assigned","structure":{"structure_type":"st:ta2p-op36","basis":"assessment_declared","tier":"C","confidence":"assessor-stated","label":"assessment-declared (Hallstedt 2025, mmc2)","source":{"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","table":"mmc2","rows":[{"actual":"Ti2S","model":"(Ti,Va)2(Va,S)","pearson":"oP36","phase_name":"TI2S","prototype":"Ta2P","space_group":{"number":58,"symbol":"Pnnm"},"strukturbericht":null}]},"prototype":"Ta2P","strukturbericht":null,"pearson":"oP36","space_group":{"number":58,"symbol":"Pnnm"},"caveats":["not certain from the name or DFT alone (no_structure_token, off_stoichiometric_model); structure as stated in the SGTE crystallographic table for this phase name and system"]},"candidates":[],"review_reasons":[],"names":[{"name":"tdb:TiS-17Hir.tdb:TI2S","namespace":"tdb","label":"TI2S","tdb_sha256":"f4b8b71ea42781341291aec84f94e1247e730164d0ba5ad28bb6c6469649373c"},{"name":"corpus:phase:s-ti:ti2s","namespace":"corpus","label":"phase:s-ti:ti2s","in_sgte_corpus":false}],"models":[{"tdb":"TiS-17Hir.tdb","path":"databases/sgte-binary/TiS-17Hir.tdb","sha256":"f4b8b71ea42781341291aec84f94e1247e730164d0ba5ad28bb6c6469649373c","phase_name":"TI2S","type_code":"%","sublattices":[{"site_ratio":2.0,"constituents":["TI","VA"]},{"site_ratio":1.0,"constituents":["S","VA"]}],"stoichiometric":false,"composition":null,"tdb_definition":{"verbatim":{"phase":{"line_start":65,"line_end":65,"text":"PHASE TI2S % 2 2 1 !"},"constituent":{"line_start":66,"line_end":66,"text":"CONST TI2S : TI% VA : S% VA : !"},"type_definitions":[{"line_start":97,"line_end":97,"text":"TYPE-DEF % SEQ * !","type_code":"%","amends":null}]},"parsed":{"phase_name":"TI2S","type_code":"%","type_codes":["%"],"n_sublattices":2,"site_ratios":[2,1],"constituents":[["TI%","VA"],["S%","VA"]],"major_constituents":[["TI"],["S"]],"magnetic":null,"disordered_part":null,"ordered_partner":null},"parameters":{"total":6,"by_kind":{"G":4,"L":2},"L_by_order":{"0":2},"interaction_orders":[0],"endmember_G":4},"provenance":{"path":"databases/sgte-binary/TiS-17Hir.tdb","sha256":"f4b8b71ea42781341291aec84f94e1247e730164d0ba5ad28bb6c6469649373c","decoded_as":"utf-8","website_url":"https://orchid-project.org/data/databases/sgte-binary/TiS-17Hir.tdb","github_url":"https://github.com/orchid-calphad/orchid-pipeline/blob/main/databases/sgte-binary/TiS-17Hir.tdb"}},"tdb_comment_structure":["Prototype Ta2P (oP36, Pnnm)"]}],"stoichiometry":null,"stability":[{"tdb":"TiS-17Hir.tdb","tdb_sha256":"f4b8b71ea42781341291aec84f94e1247e730164d0ba5ad28bb6c6469649373c","diagram":"phase-diagrams/sgte/TiS-17Hir.json","status":"ok","x_element":"S","stable":true,"T_min_K":300.0,"T_max_K":1690.79,"x_min":0.32506,"x_max":0.3599,"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.2017.02.006","citation":"K. Hirata, S. Iikubo, H. Fujimoto, H. Ohtani, Calphad, 57, 62-77(2017).","roles":["assessment that models this phase"],"labels":["TI2S"],"values":0,"tdb_files":["TiS-17Hir.tdb"]}],"total_papers":1},{"id":"phase:s-ti:ti8s10","system":"S-TI","elements":["S","TI"],"preferred_name":"TI8S10","status":"assigned","structure":{"structure_type":"st:tis-10h-hp20","basis":"assessment_declared","tier":"C","confidence":"assessor-stated","label":"assessment-declared (Hallstedt 2025, mmc2)","source":{"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","table":"mmc2","rows":[{"actual":"Ti8S10 (TiS-10H)","model":"Ti8S10","pearson":"hP20","phase_name":"TI8S10","prototype":"TiS-10H","space_group":{"number":194,"symbol":"P6_3/mmc"},"strukturbericht":null}]},"prototype":"TiS-10H","strukturbericht":null,"pearson":"hP20","space_group":{"number":194,"symbol":"P6_3/mmc"},"caveats":["not certain from the name or DFT alone (no_on_hull_entry_in_both, no_structure_token); structure as stated in the SGTE crystallographic table for this phase name and system"]},"candidates":[],"review_reasons":[],"names":[{"name":"tdb:TiS-17Hir.tdb:TI8S10","namespace":"tdb","label":"TI8S10","tdb_sha256":"f4b8b71ea42781341291aec84f94e1247e730164d0ba5ad28bb6c6469649373c"},{"name":"corpus:phase:s-ti:ti8s10","namespace":"corpus","label":"phase:s-ti:ti8s10","in_sgte_corpus":false}],"models":[{"tdb":"TiS-17Hir.tdb","path":"databases/sgte-binary/TiS-17Hir.tdb","sha256":"f4b8b71ea42781341291aec84f94e1247e730164d0ba5ad28bb6c6469649373c","phase_name":"TI8S10","type_code":"%","sublattices":[{"site_ratio":8.0,"constituents":["TI"]},{"site_ratio":10.0,"constituents":["S"]}],"stoichiometric":true,"composition":{"S":0.5555555555555556,"TI":0.4444444444444444},"tdb_definition":{"verbatim":{"phase":{"line_start":80,"line_end":80,"text":"PHASE TI8S10 % 2 8 10 !"},"constituent":{"line_start":81,"line_end":81,"text":"CONST TI8S10 : TI : S : !"},"type_definitions":[{"line_start":97,"line_end":97,"text":"TYPE-DEF % SEQ * !","type_code":"%","amends":null}]},"parsed":{"phase_name":"TI8S10","type_code":"%","type_codes":["%"],"n_sublattices":2,"site_ratios":[8,10],"constituents":[["TI"],["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/TiS-17Hir.tdb","sha256":"f4b8b71ea42781341291aec84f94e1247e730164d0ba5ad28bb6c6469649373c","decoded_as":"utf-8","website_url":"https://orchid-project.org/data/databases/sgte-binary/TiS-17Hir.tdb","github_url":"https://github.com/orchid-calphad/orchid-pipeline/blob/main/databases/sgte-binary/TiS-17Hir.tdb"}},"tdb_comment_structure":["Prototype TiS-10H (hP20, P6_3/mmc)"]}],"stoichiometry":{"S":0.5555555555555556,"TI":0.4444444444444444},"stability":[{"tdb":"TiS-17Hir.tdb","tdb_sha256":"f4b8b71ea42781341291aec84f94e1247e730164d0ba5ad28bb6c6469649373c","diagram":"phase-diagrams/sgte/TiS-17Hir.json","status":"ok","x_element":"S","stable":true,"T_min_K":300.0,"T_max_K":2123.74,"x_min":0.55556,"x_max":0.55556,"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.2017.02.006","citation":"K. Hirata, S. Iikubo, H. Fujimoto, H. Ohtani, Calphad, 57, 62-77(2017).","roles":["assessment that models this phase"],"labels":["TI8S10"],"values":0,"tdb_files":["TiS-17Hir.tdb"]}],"total_papers":1},{"id":"phase:s-ti:ti8s3","system":"S-TI","elements":["S","TI"],"preferred_name":"TI8S3","status":"assigned","structure":{"structure_type":"st:ti8s3-mc88","basis":"assessment_declared","tier":"C","confidence":"assessor-stated","label":"assessment-declared (Hallstedt 2025, mmc2)","source":{"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","table":"mmc2","rows":[{"actual":"Ti8S3","model":"Ti8S3","pearson":"mC88","phase_name":"TI8S3","prototype":"Ti8S3","space_group":{"number":12,"symbol":"C2/m"},"strukturbericht":null}]},"prototype":"Ti8S3","strukturbericht":null,"pearson":"mC88","space_group":{"number":12,"symbol":"C2/m"},"caveats":["not certain from the name or DFT alone (no_on_hull_entry_in_both, no_structure_token); structure as stated in the SGTE crystallographic table for this phase name and system"]},"candidates":[],"review_reasons":[],"names":[{"name":"tdb:TiS-17Hir.tdb:TI8S3","namespace":"tdb","label":"TI8S3","tdb_sha256":"f4b8b71ea42781341291aec84f94e1247e730164d0ba5ad28bb6c6469649373c"},{"name":"corpus:phase:s-ti:ti8s3","namespace":"corpus","label":"phase:s-ti:ti8s3","in_sgte_corpus":false}],"models":[{"tdb":"TiS-17Hir.tdb","path":"databases/sgte-binary/TiS-17Hir.tdb","sha256":"f4b8b71ea42781341291aec84f94e1247e730164d0ba5ad28bb6c6469649373c","phase_name":"TI8S3","type_code":"%","sublattices":[{"site_ratio":8.0,"constituents":["TI"]},{"site_ratio":3.0,"constituents":["S"]}],"stoichiometric":true,"composition":{"S":0.2727272727272727,"TI":0.7272727272727273},"tdb_definition":{"verbatim":{"phase":{"line_start":60,"line_end":60,"text":"PHASE TI8S3 % 2 8 3 !"},"constituent":{"line_start":61,"line_end":61,"text":"CONST TI8S3 : TI : S : !"},"type_definitions":[{"line_start":97,"line_end":97,"text":"TYPE-DEF % SEQ * !","type_code":"%","amends":null}]},"parsed":{"phase_name":"TI8S3","type_code":"%","type_codes":["%"],"n_sublattices":2,"site_ratios":[8,3],"constituents":[["TI"],["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/TiS-17Hir.tdb","sha256":"f4b8b71ea42781341291aec84f94e1247e730164d0ba5ad28bb6c6469649373c","decoded_as":"utf-8","website_url":"https://orchid-project.org/data/databases/sgte-binary/TiS-17Hir.tdb","github_url":"https://github.com/orchid-calphad/orchid-pipeline/blob/main/databases/sgte-binary/TiS-17Hir.tdb"}},"tdb_comment_structure":["Prototype Ti8S3 (mC88, C2/m)"]}],"stoichiometry":{"S":0.2727272727272727,"TI":0.7272727272727273},"stability":[{"tdb":"TiS-17Hir.tdb","tdb_sha256":"f4b8b71ea42781341291aec84f94e1247e730164d0ba5ad28bb6c6469649373c","diagram":"phase-diagrams/sgte/TiS-17Hir.json","status":"ok","x_element":"S","stable":true,"T_min_K":300.0,"T_max_K":1579.37,"x_min":0.27273,"x_max":0.27273,"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.2017.02.006","citation":"K. Hirata, S. Iikubo, H. Fujimoto, H. Ohtani, Calphad, 57, 62-77(2017).","roles":["assessment that models this phase"],"labels":["TI8S3"],"values":0,"tdb_files":["TiS-17Hir.tdb"]}],"total_papers":1},{"id":"phase:s-ti:ti8s9","system":"S-TI","elements":["S","TI"],"preferred_name":"TI8S9","status":"assigned","structure":{"structure_type":"st:tis-9r-hr6","basis":"assessment_declared","tier":"C","confidence":"assessor-stated","label":"assessment-declared (Hallstedt 2025, mmc2)","source":{"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","table":"mmc2","rows":[{"actual":"Ti8S9 (TiS-9R)","model":"Ti8S9","pearson":"hR6","phase_name":"TI8S9","prototype":"TiS-9R","space_group":{"number":166,"symbol":"R-3m"},"strukturbericht":null}]},"prototype":"TiS-9R","strukturbericht":null,"pearson":"hR6","space_group":{"number":166,"symbol":"R-3m"},"caveats":["not certain from the name or DFT alone (no_on_hull_entry_in_both, no_structure_token); structure as stated in the SGTE crystallographic table for this phase name and system"]},"candidates":[],"review_reasons":[],"names":[{"name":"tdb:TiS-17Hir.tdb:TI8S9","namespace":"tdb","label":"TI8S9","tdb_sha256":"f4b8b71ea42781341291aec84f94e1247e730164d0ba5ad28bb6c6469649373c"},{"name":"corpus:phase:s-ti:ti8s9","namespace":"corpus","label":"phase:s-ti:ti8s9","in_sgte_corpus":false}],"models":[{"tdb":"TiS-17Hir.tdb","path":"databases/sgte-binary/TiS-17Hir.tdb","sha256":"f4b8b71ea42781341291aec84f94e1247e730164d0ba5ad28bb6c6469649373c","phase_name":"TI8S9","type_code":"%","sublattices":[{"site_ratio":8.0,"constituents":["TI"]},{"site_ratio":9.0,"constituents":["S"]}],"stoichiometric":true,"composition":{"S":0.5294117647058824,"TI":0.47058823529411764},"tdb_definition":{"verbatim":{"phase":{"line_start":75,"line_end":75,"text":"PHASE TI8S9 % 2 8 9 !"},"constituent":{"line_start":76,"line_end":76,"text":"CONST TI8S9 : TI : S : !"},"type_definitions":[{"line_start":97,"line_end":97,"text":"TYPE-DEF % SEQ * !","type_code":"%","amends":null}]},"parsed":{"phase_name":"TI8S9","type_code":"%","type_codes":["%"],"n_sublattices":2,"site_ratios":[8,9],"constituents":[["TI"],["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/TiS-17Hir.tdb","sha256":"f4b8b71ea42781341291aec84f94e1247e730164d0ba5ad28bb6c6469649373c","decoded_as":"utf-8","website_url":"https://orchid-project.org/data/databases/sgte-binary/TiS-17Hir.tdb","github_url":"https://github.com/orchid-calphad/orchid-pipeline/blob/main/databases/sgte-binary/TiS-17Hir.tdb"}},"tdb_comment_structure":["Prototype TiS-9R (hR6, R-3m)"]}],"stoichiometry":{"S":0.5294117647058824,"TI":0.47058823529411764},"stability":[{"tdb":"TiS-17Hir.tdb","tdb_sha256":"f4b8b71ea42781341291aec84f94e1247e730164d0ba5ad28bb6c6469649373c","diagram":"phase-diagrams/sgte/TiS-17Hir.json","status":"ok","x_element":"S","stable":true,"T_min_K":300.0,"T_max_K":2253.98,"x_min":0.52941,"x_max":0.52941,"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.2017.02.006","citation":"K. Hirata, S. Iikubo, H. Fujimoto, H. Ohtani, Calphad, 57, 62-77(2017).","roles":["assessment that models this phase"],"labels":["TI8S9"],"values":0,"tdb_files":["TiS-17Hir.tdb"]}],"total_papers":1},{"id":"phase:s-ti:tis-b81","system":"S-TI","elements":["S","TI"],"preferred_name":"TIS_B81","status":"assigned","structure":{"structure_type":"st:b8-1-nias-hp4","basis":"standard_name","tier":"A","confidence":"high","label":"from the standard phase name","prototype":"NiAs","strukturbericht":"B8_1","pearson":"hP4","space_group":{"number":194,"symbol":"P6_3/mmc"}},"candidates":[],"review_reasons":[],"names":[{"name":"tdb:TiS-17Hir.tdb:TIS_B81","namespace":"tdb","label":"TIS_B81","tdb_sha256":"f4b8b71ea42781341291aec84f94e1247e730164d0ba5ad28bb6c6469649373c"},{"name":"corpus:phase:s-ti:tis-b81","namespace":"corpus","label":"phase:s-ti:tis-b81","in_sgte_corpus":false}],"models":[{"tdb":"TiS-17Hir.tdb","path":"databases/sgte-binary/TiS-17Hir.tdb","sha256":"f4b8b71ea42781341291aec84f94e1247e730164d0ba5ad28bb6c6469649373c","phase_name":"TIS_B81","type_code":"%","sublattices":[{"site_ratio":1.0,"constituents":["TI","VA"]},{"site_ratio":1.0,"constituents":["S","VA"]}],"stoichiometric":false,"composition":null,"tdb_definition":{"verbatim":{"phase":{"line_start":70,"line_end":70,"text":"PHASE TIS_B81 % 2 1 1 !"},"constituent":{"line_start":71,"line_end":71,"text":"CONST TIS_B81 : TI% VA : S% VA : !"},"type_definitions":[{"line_start":97,"line_end":97,"text":"TYPE-DEF % SEQ * !","type_code":"%","amends":null}]},"parsed":{"phase_name":"TIS_B81","type_code":"%","type_codes":["%"],"n_sublattices":2,"site_ratios":[1,1],"constituents":[["TI%","VA"],["S%","VA"]],"major_constituents":[["TI"],["S"]],"magnetic":null,"disordered_part":null,"ordered_partner":null},"parameters":{"total":8,"by_kind":{"G":4,"L":4},"L_by_order":{"0":3,"1":1},"interaction_orders":[0,1],"endmember_G":4},"provenance":{"path":"databases/sgte-binary/TiS-17Hir.tdb","sha256":"f4b8b71ea42781341291aec84f94e1247e730164d0ba5ad28bb6c6469649373c","decoded_as":"utf-8","website_url":"https://orchid-project.org/data/databases/sgte-binary/TiS-17Hir.tdb","github_url":"https://github.com/orchid-calphad/orchid-pipeline/blob/main/databases/sgte-binary/TiS-17Hir.tdb"}},"tdb_comment_structure":["Prototype NiAs (hP4, P6_3/mmc)"]}],"stoichiometry":null,"stability":[{"tdb":"TiS-17Hir.tdb","tdb_sha256":"f4b8b71ea42781341291aec84f94e1247e730164d0ba5ad28bb6c6469649373c","diagram":"phase-diagrams/sgte/TiS-17Hir.json","status":"ok","x_element":"S","stable":true,"T_min_K":300.0,"T_max_K":2037.16,"x_min":0.47981,"x_max":0.5,"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.2017.02.006","citation":"K. Hirata, S. Iikubo, H. Fujimoto, H. Ohtani, Calphad, 57, 62-77(2017).","roles":["assessment that models this phase"],"labels":["TIS_B81"],"values":0,"tdb_files":["TiS-17Hir.tdb"]}],"total_papers":1},{"id":"phase:s-ti:tis2-c6","system":"S-TI","elements":["S","TI"],"preferred_name":"TIS2_C6","status":"assigned","structure":{"structure_type":"st:c6-cdi2-hp3","basis":"standard_name","tier":"A","confidence":"high","label":"from the standard phase name","prototype":"CdI2","strukturbericht":"C6","pearson":"hP3","space_group":{"number":164,"symbol":"P-3m1"}},"candidates":[],"review_reasons":[],"names":[{"name":"tdb:TiS-17Hir.tdb:TIS2_C6","namespace":"tdb","label":"TIS2_C6","tdb_sha256":"f4b8b71ea42781341291aec84f94e1247e730164d0ba5ad28bb6c6469649373c"},{"name":"corpus:phase:s-ti:tis2-c6","namespace":"corpus","label":"phase:s-ti:tis2-c6","in_sgte_corpus":false}],"models":[{"tdb":"TiS-17Hir.tdb","path":"databases/sgte-binary/TiS-17Hir.tdb","sha256":"f4b8b71ea42781341291aec84f94e1247e730164d0ba5ad28bb6c6469649373c","phase_name":"TIS2_C6","type_code":"%","sublattices":[{"site_ratio":1.0,"constituents":["TI","VA"]},{"site_ratio":2.0,"constituents":["S","VA"]}],"stoichiometric":false,"composition":null,"tdb_definition":{"verbatim":{"phase":{"line_start":85,"line_end":85,"text":"PHASE TIS2_C6 % 2 1 2 !"},"constituent":{"line_start":86,"line_end":86,"text":"CONST TIS2_C6 : TI% VA : S% VA : !"},"type_definitions":[{"line_start":97,"line_end":97,"text":"TYPE-DEF % SEQ * !","type_code":"%","amends":null}]},"parsed":{"phase_name":"TIS2_C6","type_code":"%","type_codes":["%"],"n_sublattices":2,"site_ratios":[1,2],"constituents":[["TI%","VA"],["S%","VA"]],"major_constituents":[["TI"],["S"]],"magnetic":null,"disordered_part":null,"ordered_partner":null},"parameters":{"total":5,"by_kind":{"G":4,"L":1},"L_by_order":{"0":1},"interaction_orders":[0],"endmember_G":4},"provenance":{"path":"databases/sgte-binary/TiS-17Hir.tdb","sha256":"f4b8b71ea42781341291aec84f94e1247e730164d0ba5ad28bb6c6469649373c","decoded_as":"utf-8","website_url":"https://orchid-project.org/data/databases/sgte-binary/TiS-17Hir.tdb","github_url":"https://github.com/orchid-calphad/orchid-pipeline/blob/main/databases/sgte-binary/TiS-17Hir.tdb"}},"tdb_comment_structure":["Prototype CdI2 (hP3, P-3m1)"]}],"stoichiometry":null,"stability":[{"tdb":"TiS-17Hir.tdb","tdb_sha256":"f4b8b71ea42781341291aec84f94e1247e730164d0ba5ad28bb6c6469649373c","diagram":"phase-diagrams/sgte/TiS-17Hir.json","status":"ok","x_element":"S","stable":true,"T_min_K":300.0,"T_max_K":2023.18,"x_min":0.64481,"x_max":0.66003,"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.2017.02.006","citation":"K. Hirata, S. Iikubo, H. Fujimoto, H. Ohtani, Calphad, 57, 62-77(2017).","roles":["assessment that models this phase"],"labels":["TIS2_C6"],"values":0,"tdb_files":["TiS-17Hir.tdb"]}],"total_papers":1},{"id":"phase:s-ti:tis3","system":"S-TI","elements":["S","TI"],"preferred_name":"TIS3","status":"assigned","structure":{"structure_type":"st:zrse3-mp8","basis":"assessment_declared","tier":"C","confidence":"assessor-stated","label":"assessment-declared (Hallstedt 2025, mmc2)","source":{"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","table":"mmc2","rows":[{"actual":"TiS3","model":"Ti(S,Va)3","pearson":"mP8","phase_name":"TIS3","prototype":"ZrSe3","space_group":{"number":11,"symbol":"P2_1/m"},"strukturbericht":null}]},"prototype":"ZrSe3","strukturbericht":null,"pearson":"mP8","space_group":{"number":11,"symbol":"P2_1/m"},"caveats":["not certain from the name or DFT alone (no_structure_token, off_stoichiometric_model); structure as stated in the SGTE crystallographic table for this phase name and system"]},"candidates":[],"review_reasons":[],"names":[{"name":"tdb:TiS-17Hir.tdb:TIS3","namespace":"tdb","label":"TIS3","tdb_sha256":"f4b8b71ea42781341291aec84f94e1247e730164d0ba5ad28bb6c6469649373c"},{"name":"corpus:phase:s-ti:tis3","namespace":"corpus","label":"phase:s-ti:tis3","in_sgte_corpus":false}],"models":[{"tdb":"TiS-17Hir.tdb","path":"databases/sgte-binary/TiS-17Hir.tdb","sha256":"f4b8b71ea42781341291aec84f94e1247e730164d0ba5ad28bb6c6469649373c","phase_name":"TIS3","type_code":"%","sublattices":[{"site_ratio":1.0,"constituents":["TI"]},{"site_ratio":3.0,"constituents":["S","VA"]}],"stoichiometric":false,"composition":null,"tdb_definition":{"verbatim":{"phase":{"line_start":90,"line_end":90,"text":"PHASE TIS3 % 2 1 3 !"},"constituent":{"line_start":91,"line_end":91,"text":"CONST TIS3 : TI : S% VA : !"},"type_definitions":[{"line_start":97,"line_end":97,"text":"TYPE-DEF % SEQ * !","type_code":"%","amends":null}]},"parsed":{"phase_name":"TIS3","type_code":"%","type_codes":["%"],"n_sublattices":2,"site_ratios":[1,3],"constituents":[["TI"],["S%","VA"]],"major_constituents":[[],["S"]],"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/TiS-17Hir.tdb","sha256":"f4b8b71ea42781341291aec84f94e1247e730164d0ba5ad28bb6c6469649373c","decoded_as":"utf-8","website_url":"https://orchid-project.org/data/databases/sgte-binary/TiS-17Hir.tdb","github_url":"https://github.com/orchid-calphad/orchid-pipeline/blob/main/databases/sgte-binary/TiS-17Hir.tdb"}},"tdb_comment_structure":["Prototype ZrSe3 (mP8, P2_1/m)"]}],"stoichiometry":null,"stability":[{"tdb":"TiS-17Hir.tdb","tdb_sha256":"f4b8b71ea42781341291aec84f94e1247e730164d0ba5ad28bb6c6469649373c","diagram":"phase-diagrams/sgte/TiS-17Hir.json","status":"ok","x_element":"S","stable":true,"T_min_K":300.0,"T_max_K":838.84,"x_min":0.75,"x_max":0.75,"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.2017.02.006","citation":"K. Hirata, S. Iikubo, H. Fujimoto, H. Ohtani, Calphad, 57, 62-77(2017).","roles":["assessment that models this phase"],"labels":["TIS3"],"values":0,"tdb_files":["TiS-17Hir.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:b8-1-nias-hp4":{"id":"st:b8-1-nias-hp4","prototype":"NiAs","prototype_spellings":[],"strukturbericht":"B8_1","pearson":"hP4","space_group":{"number":194,"symbol":"P6_3/mmc"},"stoichiometry":"As1Ni1","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":36},{"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":21},"st:c6-cdi2-hp3":{"id":"st:c6-cdi2-hp3","prototype":"CdI2","prototype_spellings":[],"strukturbericht":"C6","pearson":"hP3","space_group":{"number":164,"symbol":"P-3m1"},"stoichiometry":"Cd1I2","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":9}],"verification":"in Hallstedt 2025 mmc2","registry_phases":7},"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:ta2p-op36":{"id":"st:ta2p-op36","prototype":"Ta2P","prototype_spellings":[],"strukturbericht":null,"pearson":"oP36","space_group":{"number":58,"symbol":"Pnnm"},"stoichiometry":"P1Ta2","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:ti8s3-mc88":{"id":"st:ti8s3-mc88","prototype":"Ti8S3","prototype_spellings":[],"strukturbericht":null,"pearson":"mC88","space_group":{"number":12,"symbol":"C2/m"},"stoichiometry":"S3Ti8","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:tis-10h-hp20":{"id":"st:tis-10h-hp20","prototype":"TiS-10H","prototype_spellings":[],"strukturbericht":null,"pearson":"hP20","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":1}],"verification":"in Hallstedt 2025 mmc2","registry_phases":1},"st:tis-9r-hr6":{"id":"st:tis-9r-hr6","prototype":"TiS-9R","prototype_spellings":[],"strukturbericht":null,"pearson":"hR6","space_group":{"number":166,"symbol":"R-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":2}],"verification":"in Hallstedt 2025 mmc2","registry_phases":2},"st:zrse3-mp8":{"id":"st:zrse3-mp8","prototype":"ZrSe3","prototype_spellings":[],"strukturbericht":null,"pearson":"mP8","space_group":{"number":11,"symbol":"P2_1/m"},"stoichiometry":"Se3Zr1","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}"}}}