{"system":"MO-S","release":"v2026.10","phases":[{"id":"phase:mo-s:a16-orthorhombic","system":"MO-S","elements":["MO","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:MoS-18Cui.tdb:ORTHORHOMBIC_A16","namespace":"tdb","label":"ORTHORHOMBIC_A16","tdb_sha256":"f40ff1fdf8952ae30c9663d38efd2c5bcb2608cb8a7e7d9ffc1cf565bba07a0d"},{"name":"corpus:phase:mo-s:a16-orthorhombic","namespace":"corpus","label":"phase:mo-s:a16-orthorhombic","in_sgte_corpus":false}],"models":[{"tdb":"MoS-18Cui.tdb","path":"databases/sgte-binary/MoS-18Cui.tdb","sha256":"f40ff1fdf8952ae30c9663d38efd2c5bcb2608cb8a7e7d9ffc1cf565bba07a0d","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":55,"line_end":55,"text":"PHASE ORTHORHOMBIC_A16 % 1 1 !"},"constituent":{"line_start":56,"line_end":56,"text":"CONST ORTHORHOMBIC_A16 : S : !"},"type_definitions":[{"line_start":85,"line_end":85,"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/MoS-18Cui.tdb","sha256":"f40ff1fdf8952ae30c9663d38efd2c5bcb2608cb8a7e7d9ffc1cf565bba07a0d","decoded_as":"utf-8","website_url":"https://orchid-project.org/data/databases/sgte-binary/MoS-18Cui.tdb","github_url":"https://github.com/orchid-calphad/orchid-pipeline/blob/main/databases/sgte-binary/MoS-18Cui.tdb"}},"tdb_comment_structure":["Prototype alpha-S (oF128, Fddd)"]}],"stoichiometry":{"S":1.0},"stability":[{"tdb":"MoS-18Cui.tdb","tdb_sha256":"f40ff1fdf8952ae30c9663d38efd2c5bcb2608cb8a7e7d9ffc1cf565bba07a0d","diagram":"phase-diagrams/sgte/MoS-18Cui.json","status":"ok","x_element":"S","calc_T_range_K":[300,4000],"stable":true,"T_min_K":300.0,"T_max_K":384.34,"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.tca.2017.12.011","citation":"Senlin Cui, Biao Hu, Bin Ouyang, Dongdong Zhao, Thermodynamic assessment of the Mo-S system and its application in thermal decomposition of MoS 2, Thermochimica Acta 660, 44-55 (2018).","roles":["assessment that models this phase"],"labels":["ORTHORHOMBIC_A16"],"values":0,"tdb_files":["MoS-18Cui.tdb"]}],"total_papers":1},{"id":"phase:mo-s:bcc-a2","system":"MO-S","elements":["MO","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":"paper:10.1016/j.tca.2017.12.011:bcc_A2","namespace":"paper","label":"bcc_A2","basis":"corpus_mapping:unstated"},{"name":"tdb:MoS-18Cui.tdb:BCC_A2","namespace":"tdb","label":"BCC_A2","tdb_sha256":"f40ff1fdf8952ae30c9663d38efd2c5bcb2608cb8a7e7d9ffc1cf565bba07a0d"},{"name":"corpus:phase:mo-s:bcc-a2","namespace":"corpus","label":"phase:mo-s:bcc-a2","in_sgte_corpus":true}],"models":[{"tdb":"MoS-18Cui.tdb","path":"databases/sgte-binary/MoS-18Cui.tdb","sha256":"f40ff1fdf8952ae30c9663d38efd2c5bcb2608cb8a7e7d9ffc1cf565bba07a0d","phase_name":"BCC_A2","type_code":"%B","sublattices":[{"site_ratio":1.0,"constituents":["MO","S"]},{"site_ratio":3.0,"constituents":["VA"]}],"stoichiometric":false,"composition":null,"tdb_definition":{"verbatim":{"phase":{"line_start":45,"line_end":45,"text":"PHASE BCC_A2 %B 2 1 3 !"},"constituent":{"line_start":46,"line_end":46,"text":"CONST BCC_A2 : MO% S : VA : !"},"type_definitions":[{"line_start":85,"line_end":85,"text":"TYPE-DEF % SEQ * !","type_code":"%","amends":null},{"line_start":87,"line_end":87,"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":[["MO%","S"],["VA"]],"major_constituents":[["MO"],[]],"magnetic":{"type_code":"B","afm_factor":-1,"structure_fraction":0.4,"line":87},"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/MoS-18Cui.tdb","sha256":"f40ff1fdf8952ae30c9663d38efd2c5bcb2608cb8a7e7d9ffc1cf565bba07a0d","decoded_as":"utf-8","website_url":"https://orchid-project.org/data/databases/sgte-binary/MoS-18Cui.tdb","github_url":"https://github.com/orchid-calphad/orchid-pipeline/blob/main/databases/sgte-binary/MoS-18Cui.tdb"}}}],"stoichiometry":null,"stability":[{"tdb":"MoS-18Cui.tdb","tdb_sha256":"f40ff1fdf8952ae30c9663d38efd2c5bcb2608cb8a7e7d9ffc1cf565bba07a0d","diagram":"phase-diagrams/sgte/MoS-18Cui.json","status":"ok","x_element":"S","calc_T_range_K":[300,4000],"stable":true,"T_min_K":300.0,"T_max_K":2896.99,"x_min":0.0,"x_max":0.02647,"stable_at_top_of_range":false}],"literature":{"values":22,"accepted_values":22,"papers":1},"corpus":{"in_sgte_corpus":true,"phase_mappings":0,"mapping_basis":{},"printed_labels":[]},"references":[{"doi":"10.1016/j.tca.2017.12.011","citation":"Senlin Cui, Biao Hu, Bin Ouyang, Dongdong Zhao, Thermodynamic assessment of the Mo-S system and its application in thermal decomposition of MoS 2, Thermochimica Acta 660, 44-55 (2018).","roles":["assessment that models this phase","reports values for this phase"],"labels":["BCC_A2","bcc_A2"],"values":22,"tdb_files":["MoS-18Cui.tdb"]},{"doi":"10.1007/bfb0047028","citation":"Günter H. Moh, High-temperature metal sulfide chemistry, Topics in Current Chemistry, 107-151 (2006).","roles":["cited as the source of values for this phase"],"labels":[],"values":2},{"doi":"10.1016/0036-9748(83)90262-4","citation":"William B. Johnson, William S. Hong, Dennis W. Readey, A molybdenum sulfur binary phase diagram, Scripta Metallurgica 17, 919-922 (1983).","roles":["cited as the source of values for this phase"],"labels":[],"values":2},{"doi":"10.1021/acs.nanolett.6b02443","citation":"Shun-Li Shang, Greta Lindwall, Yi Wang, Joan M. Redwing, Tim Anderson, Zi-Kui Liu, Lateral Versus Vertical Growth of Two-Dimensional Layered Transition-Metal Dichalcogenides: Thermodynamic Insight into MoS<sub>2</sub>, Nano Lett. 16, 5742-5750 (2016).","roles":["cited as the source of values for this phase"],"labels":[],"values":2},{"doi":"10.1016/j.jallcom.2007.01.175","citation":"I.G. Vasilyeva, R.E. Nikolaev, High-temperature solid–vapor and liquid–vapor transitions in binary and ternary chalcogenides La2S3, MoS2, Mo2S3 and LiInSe2, Journal of Alloys and Compounds 452, 89-93 (2008).","roles":["cited as the source of values for this phase"],"labels":[],"values":1},{"doi":"10.1023/a:1010115620439","citation":"Ya. I. Gibner, I. G. Vasilyeva, Rapid Heating in High-Temperature Thermomicroscopic Analysis, Journal of Thermal Analysis and Calorimetry 53, 151-160 (1998).","roles":["cited as the source of values for this phase"],"labels":[],"values":1}],"total_papers":6},{"id":"phase:mo-s:fcc-a1","system":"MO-S","elements":["MO","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":"tdb:MoS-18Cui.tdb:FCC_A1","namespace":"tdb","label":"FCC_A1","tdb_sha256":"f40ff1fdf8952ae30c9663d38efd2c5bcb2608cb8a7e7d9ffc1cf565bba07a0d"},{"name":"corpus:phase:mo-s:fcc-a1","namespace":"corpus","label":"phase:mo-s:fcc-a1","in_sgte_corpus":false}],"models":[{"tdb":"MoS-18Cui.tdb","path":"databases/sgte-binary/MoS-18Cui.tdb","sha256":"f40ff1fdf8952ae30c9663d38efd2c5bcb2608cb8a7e7d9ffc1cf565bba07a0d","phase_name":"FCC_A1","type_code":"%A","sublattices":[{"site_ratio":1.0,"constituents":["MO"]},{"site_ratio":1.0,"constituents":["VA"]}],"stoichiometric":true,"composition":{"MO":1.0},"tdb_definition":{"verbatim":{"phase":{"line_start":40,"line_end":40,"text":"PHASE FCC_A1 %A 2 1 1 !"},"constituent":{"line_start":41,"line_end":41,"text":"CONST FCC_A1 : MO : VA : !"},"type_definitions":[{"line_start":85,"line_end":85,"text":"TYPE-DEF % SEQ * !","type_code":"%","amends":null},{"line_start":86,"line_end":86,"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":[["MO"],["VA"]],"major_constituents":[[],[]],"magnetic":{"type_code":"A","afm_factor":-3,"structure_fraction":0.28,"line":86},"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/MoS-18Cui.tdb","sha256":"f40ff1fdf8952ae30c9663d38efd2c5bcb2608cb8a7e7d9ffc1cf565bba07a0d","decoded_as":"utf-8","website_url":"https://orchid-project.org/data/databases/sgte-binary/MoS-18Cui.tdb","github_url":"https://github.com/orchid-calphad/orchid-pipeline/blob/main/databases/sgte-binary/MoS-18Cui.tdb"}}}],"stoichiometry":{"MO":1.0},"stability":[{"tdb":"MoS-18Cui.tdb","tdb_sha256":"f40ff1fdf8952ae30c9663d38efd2c5bcb2608cb8a7e7d9ffc1cf565bba07a0d","diagram":"phase-diagrams/sgte/MoS-18Cui.json","status":"ok","x_element":"S","calc_T_range_K":[300,4000],"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.tca.2017.12.011","citation":"Senlin Cui, Biao Hu, Bin Ouyang, Dongdong Zhao, Thermodynamic assessment of the Mo-S system and its application in thermal decomposition of MoS 2, Thermochimica Acta 660, 44-55 (2018).","roles":["assessment that models this phase"],"labels":["FCC_A1"],"values":0,"tdb_files":["MoS-18Cui.tdb"]}],"total_papers":1},{"id":"phase:mo-s:gas","system":"MO-S","elements":["MO","S"],"preferred_name":"GAS","status":"assigned","structure":{"structure_type":"st:gas","basis":"gas","confidence":"high","label":"gas","prototype":null,"strukturbericht":null,"pearson":null,"space_group":null},"candidates":[],"review_reasons":[],"names":[{"name":"paper:10.1016/j.tca.2017.12.011:S2 (g)","namespace":"paper","label":"S2 (g)","basis":"corpus_mapping:unstated"},{"name":"paper:10.1016/j.tca.2017.12.011:gas","namespace":"paper","label":"gas","basis":"corpus_mapping:unstated"},{"name":"tdb:MoS-18Cui.tdb:GAS","namespace":"tdb","label":"GAS","tdb_sha256":"f40ff1fdf8952ae30c9663d38efd2c5bcb2608cb8a7e7d9ffc1cf565bba07a0d"},{"name":"corpus:phase:mo-s:gas","namespace":"corpus","label":"phase:mo-s:gas","in_sgte_corpus":true}],"models":[{"tdb":"MoS-18Cui.tdb","path":"databases/sgte-binary/MoS-18Cui.tdb","sha256":"f40ff1fdf8952ae30c9663d38efd2c5bcb2608cb8a7e7d9ffc1cf565bba07a0d","phase_name":"GAS","type_code":"%","sublattices":[{"site_ratio":1.0,"constituents":["MO","MO2","MOS","MOS2","S","S2","S3","S4","S5","S6","S7","S8"]}],"stoichiometric":false,"composition":null,"tdb_definition":{"verbatim":{"phase":{"line_start":78,"line_end":78,"text":"PHASE GAS:G % 1 1 !"},"constituent":{"line_start":79,"line_end":79,"text":"CONST GAS:G : MO MO2 MOS MOS2 S S2 S3 S4 S5 S6 S7 S8 : !"},"type_definitions":[{"line_start":85,"line_end":85,"text":"TYPE-DEF % SEQ * !","type_code":"%","amends":null}]},"parsed":{"phase_name":"GAS","type_code":"%","type_codes":["%"],"n_sublattices":1,"site_ratios":[1],"constituents":[["MO","MO2","MOS","MOS2","S","S2","S3","S4","S5","S6","S7","S8"]],"major_constituents":[[]],"magnetic":null,"disordered_part":null,"ordered_partner":null},"parameters":{"total":12,"by_kind":{"G":12},"L_by_order":{},"interaction_orders":[],"endmember_G":12},"provenance":{"path":"databases/sgte-binary/MoS-18Cui.tdb","sha256":"f40ff1fdf8952ae30c9663d38efd2c5bcb2608cb8a7e7d9ffc1cf565bba07a0d","decoded_as":"utf-8","website_url":"https://orchid-project.org/data/databases/sgte-binary/MoS-18Cui.tdb","github_url":"https://github.com/orchid-calphad/orchid-pipeline/blob/main/databases/sgte-binary/MoS-18Cui.tdb"}}}],"stoichiometry":null,"stability":[{"tdb":"MoS-18Cui.tdb","tdb_sha256":"f40ff1fdf8952ae30c9663d38efd2c5bcb2608cb8a7e7d9ffc1cf565bba07a0d","diagram":"phase-diagrams/sgte/MoS-18Cui.json","status":"ok","x_element":"S","calc_T_range_K":[300,4000],"stable":true,"T_min_K":690.29,"T_max_K":4000.0,"x_min":0.94459,"x_max":1.0,"stable_at_top_of_range":true}],"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.tca.2017.12.011","citation":"Senlin Cui, Biao Hu, Bin Ouyang, Dongdong Zhao, Thermodynamic assessment of the Mo-S system and its application in thermal decomposition of MoS 2, Thermochimica Acta 660, 44-55 (2018).","roles":["assessment that models this phase","reports values for this phase"],"labels":["GAS","S2 (g)","gas"],"values":11,"tdb_files":["MoS-18Cui.tdb"]},{"doi":"10.1021/acs.nanolett.6b02443","citation":"Shun-Li Shang, Greta Lindwall, Yi Wang, Joan M. Redwing, Tim Anderson, Zi-Kui Liu, Lateral Versus Vertical Growth of Two-Dimensional Layered Transition-Metal Dichalcogenides: Thermodynamic Insight into MoS<sub>2</sub>, Nano Lett. 16, 5742-5750 (2016).","roles":["cited as the source of values for this phase"],"labels":[],"values":2},{"doi":"10.1016/j.jallcom.2007.01.175","citation":"I.G. Vasilyeva, R.E. Nikolaev, High-temperature solid–vapor and liquid–vapor transitions in binary and ternary chalcogenides La2S3, MoS2, Mo2S3 and LiInSe2, Journal of Alloys and Compounds 452, 89-93 (2008).","roles":["cited as the source of values for this phase"],"labels":[],"values":1},{"doi":"10.1023/a:1010115620439","citation":"Ya. I. Gibner, I. G. Vasilyeva, Rapid Heating in High-Temperature Thermomicroscopic Analysis, Journal of Thermal Analysis and Calorimetry 53, 151-160 (1998).","roles":["cited as the source of values for this phase"],"labels":[],"values":1}],"total_papers":4},{"id":"phase:mo-s:hcp-a3","system":"MO-S","elements":["MO","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:MoS-18Cui.tdb:HCP_A3","namespace":"tdb","label":"HCP_A3","tdb_sha256":"f40ff1fdf8952ae30c9663d38efd2c5bcb2608cb8a7e7d9ffc1cf565bba07a0d"},{"name":"corpus:phase:mo-s:hcp-a3","namespace":"corpus","label":"phase:mo-s:hcp-a3","in_sgte_corpus":false}],"models":[{"tdb":"MoS-18Cui.tdb","path":"databases/sgte-binary/MoS-18Cui.tdb","sha256":"f40ff1fdf8952ae30c9663d38efd2c5bcb2608cb8a7e7d9ffc1cf565bba07a0d","phase_name":"HCP_A3","type_code":"%A","sublattices":[{"site_ratio":1.0,"constituents":["MO"]},{"site_ratio":0.5,"constituents":["VA"]}],"stoichiometric":true,"composition":{"MO":1.0},"tdb_definition":{"verbatim":{"phase":{"line_start":50,"line_end":50,"text":"PHASE HCP_A3 %A 2 1 0.5 !"},"constituent":{"line_start":51,"line_end":51,"text":"CONST HCP_A3 : MO : VA : !"},"type_definitions":[{"line_start":85,"line_end":85,"text":"TYPE-DEF % SEQ * !","type_code":"%","amends":null},{"line_start":86,"line_end":86,"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":[["MO"],["VA"]],"major_constituents":[[],[]],"magnetic":{"type_code":"A","afm_factor":-3,"structure_fraction":0.28,"line":86},"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/MoS-18Cui.tdb","sha256":"f40ff1fdf8952ae30c9663d38efd2c5bcb2608cb8a7e7d9ffc1cf565bba07a0d","decoded_as":"utf-8","website_url":"https://orchid-project.org/data/databases/sgte-binary/MoS-18Cui.tdb","github_url":"https://github.com/orchid-calphad/orchid-pipeline/blob/main/databases/sgte-binary/MoS-18Cui.tdb"}}}],"stoichiometry":{"MO":1.0},"stability":[{"tdb":"MoS-18Cui.tdb","tdb_sha256":"f40ff1fdf8952ae30c9663d38efd2c5bcb2608cb8a7e7d9ffc1cf565bba07a0d","diagram":"phase-diagrams/sgte/MoS-18Cui.json","status":"ok","x_element":"S","calc_T_range_K":[300,4000],"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.tca.2017.12.011","citation":"Senlin Cui, Biao Hu, Bin Ouyang, Dongdong Zhao, Thermodynamic assessment of the Mo-S system and its application in thermal decomposition of MoS 2, Thermochimica Acta 660, 44-55 (2018).","roles":["assessment that models this phase"],"labels":["HCP_A3"],"values":0,"tdb_files":["MoS-18Cui.tdb"]}],"total_papers":1},{"id":"phase:mo-s:liquid","system":"MO-S","elements":["MO","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.tca.2017.12.011:L","namespace":"paper","label":"L","basis":"corpus_mapping:unstated"},{"name":"paper:10.1016/j.tca.2017.12.011:Liquid","namespace":"paper","label":"Liquid","basis":"corpus_mapping:unstated"},{"name":"tdb:MoS-18Cui.tdb:LIQUID","namespace":"tdb","label":"LIQUID","tdb_sha256":"f40ff1fdf8952ae30c9663d38efd2c5bcb2608cb8a7e7d9ffc1cf565bba07a0d"},{"name":"corpus:phase:mo-s:liquid","namespace":"corpus","label":"phase:mo-s:liquid","in_sgte_corpus":true}],"models":[{"tdb":"MoS-18Cui.tdb","path":"databases/sgte-binary/MoS-18Cui.tdb","sha256":"f40ff1fdf8952ae30c9663d38efd2c5bcb2608cb8a7e7d9ffc1cf565bba07a0d","phase_name":"LIQUID","type_code":"%","sublattices":[{"site_ratio":1.0,"constituents":["MO","S"]}],"stoichiometric":false,"composition":null,"tdb_definition":{"verbatim":{"phase":{"line_start":35,"line_end":35,"text":"PHASE LIQUID:L % 1 1 !"},"constituent":{"line_start":36,"line_end":36,"text":"CONST LIQUID:L : MO S : !"},"type_definitions":[{"line_start":85,"line_end":85,"text":"TYPE-DEF % SEQ * !","type_code":"%","amends":null}]},"parsed":{"phase_name":"LIQUID","type_code":"%","type_codes":["%"],"n_sublattices":1,"site_ratios":[1],"constituents":[["MO","S"]],"major_constituents":[[]],"magnetic":null,"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/MoS-18Cui.tdb","sha256":"f40ff1fdf8952ae30c9663d38efd2c5bcb2608cb8a7e7d9ffc1cf565bba07a0d","decoded_as":"utf-8","website_url":"https://orchid-project.org/data/databases/sgte-binary/MoS-18Cui.tdb","github_url":"https://github.com/orchid-calphad/orchid-pipeline/blob/main/databases/sgte-binary/MoS-18Cui.tdb"}}}],"stoichiometry":null,"stability":[{"tdb":"MoS-18Cui.tdb","tdb_sha256":"f40ff1fdf8952ae30c9663d38efd2c5bcb2608cb8a7e7d9ffc1cf565bba07a0d","diagram":"phase-diagrams/sgte/MoS-18Cui.json","status":"ok","x_element":"S","calc_T_range_K":[300,4000],"stable":true,"T_min_K":384.34,"T_max_K":4000.0,"x_min":0.0,"x_max":1.0,"stable_at_top_of_range":true}],"literature":{"values":40,"accepted_values":40,"papers":1},"corpus":{"in_sgte_corpus":true,"phase_mappings":0,"mapping_basis":{},"printed_labels":[]},"references":[{"doi":"10.1016/j.tca.2017.12.011","citation":"Senlin Cui, Biao Hu, Bin Ouyang, Dongdong Zhao, Thermodynamic assessment of the Mo-S system and its application in thermal decomposition of MoS 2, Thermochimica Acta 660, 44-55 (2018).","roles":["assessment that models this phase","reports values for this phase"],"labels":["L","LIQUID","Liquid"],"values":40,"tdb_files":["MoS-18Cui.tdb"]},{"doi":"10.1021/acs.nanolett.6b02443","citation":"Shun-Li Shang, Greta Lindwall, Yi Wang, Joan M. Redwing, Tim Anderson, Zi-Kui Liu, Lateral Versus Vertical Growth of Two-Dimensional Layered Transition-Metal Dichalcogenides: Thermodynamic Insight into MoS<sub>2</sub>, Nano Lett. 16, 5742-5750 (2016).","roles":["cited as the source of values for this phase"],"labels":[],"values":6},{"doi":"10.1007/bfb0047028","citation":"Günter H. Moh, High-temperature metal sulfide chemistry, Topics in Current Chemistry, 107-151 (2006).","roles":["cited as the source of values for this phase"],"labels":[],"values":4},{"doi":"10.1016/j.jallcom.2007.01.175","citation":"I.G. Vasilyeva, R.E. Nikolaev, High-temperature solid–vapor and liquid–vapor transitions in binary and ternary chalcogenides La2S3, MoS2, Mo2S3 and LiInSe2, Journal of Alloys and Compounds 452, 89-93 (2008).","roles":["cited as the source of values for this phase"],"labels":[],"values":3},{"doi":"10.1016/0036-9748(83)90262-4","citation":"William B. Johnson, William S. Hong, Dennis W. Readey, A molybdenum sulfur binary phase diagram, Scripta Metallurgica 17, 919-922 (1983).","roles":["cited as the source of values for this phase"],"labels":[],"values":2},{"doi":"10.1023/a:1010115620439","citation":"Ya. I. Gibner, I. G. Vasilyeva, Rapid Heating in High-Temperature Thermomicroscopic Analysis, Journal of Thermal Analysis and Calorimetry 53, 151-160 (1998).","roles":["cited as the source of values for this phase"],"labels":[],"values":2}],"total_papers":6},{"id":"phase:mo-s:mo2s3-ht","system":"MO-S","elements":["MO","S"],"preferred_name":"MO2S3_HT","status":"needs_review","structure":null,"candidates":[{"source":"literature_printed","structure_type":null,"prototype":"(Mo2S3)","strukturbericht":null,"pearson":"?","space_group":null,"detail":"printed with a label mapped to this phase","count":29},{"source":"sgte_mmc2","structure_type":"st:mo2s3","prototype":"(Mo2S3)","strukturbericht":null,"pearson":null,"space_group":null,"detail":"Hallstedt 2025 mmc2 row for MO2S3_HT: Mo2S3 (high T)"}],"review_reasons":["no_structure_token","polymorph_family:other phases of this system have the same composition","sgte_mmc2_row_incomplete"],"names":[{"name":"paper:10.1016/j.tca.2017.12.011:Mo2S3","namespace":"paper","label":"Mo2S3","basis":"corpus_mapping:unstated"},{"name":"paper:10.1016/j.tca.2017.12.011:β_Mo2S3","namespace":"paper","label":"β_Mo2S3","basis":"corpus_mapping:unstated"},{"name":"tdb:MoS-18Cui.tdb:MO2S3_HT","namespace":"tdb","label":"MO2S3_HT","tdb_sha256":"f40ff1fdf8952ae30c9663d38efd2c5bcb2608cb8a7e7d9ffc1cf565bba07a0d"},{"name":"corpus:phase:mo-s:mo2s3-ht","namespace":"corpus","label":"phase:mo-s:mo2s3-ht","in_sgte_corpus":true}],"models":[{"tdb":"MoS-18Cui.tdb","path":"databases/sgte-binary/MoS-18Cui.tdb","sha256":"f40ff1fdf8952ae30c9663d38efd2c5bcb2608cb8a7e7d9ffc1cf565bba07a0d","phase_name":"MO2S3_HT","type_code":"%","sublattices":[{"site_ratio":2.0,"constituents":["MO"]},{"site_ratio":3.0,"constituents":["S"]}],"stoichiometric":true,"composition":{"MO":0.4,"S":0.6},"tdb_definition":{"verbatim":{"phase":{"line_start":70,"line_end":70,"text":"PHASE MO2S3_HT % 2 2 3 !"},"constituent":{"line_start":71,"line_end":71,"text":"CONST MO2S3_HT : MO : S : !"},"type_definitions":[{"line_start":85,"line_end":85,"text":"TYPE-DEF % SEQ * !","type_code":"%","amends":null}]},"parsed":{"phase_name":"MO2S3_HT","type_code":"%","type_codes":["%"],"n_sublattices":2,"site_ratios":[2,3],"constituents":[["MO"],["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/MoS-18Cui.tdb","sha256":"f40ff1fdf8952ae30c9663d38efd2c5bcb2608cb8a7e7d9ffc1cf565bba07a0d","decoded_as":"utf-8","website_url":"https://orchid-project.org/data/databases/sgte-binary/MoS-18Cui.tdb","github_url":"https://github.com/orchid-calphad/orchid-pipeline/blob/main/databases/sgte-binary/MoS-18Cui.tdb"}}}],"stoichiometry":{"MO":0.4,"S":0.6},"stability":[{"tdb":"MoS-18Cui.tdb","tdb_sha256":"f40ff1fdf8952ae30c9663d38efd2c5bcb2608cb8a7e7d9ffc1cf565bba07a0d","diagram":"phase-diagrams/sgte/MoS-18Cui.json","status":"ok","x_element":"S","calc_T_range_K":[300,4000],"stable":true,"T_min_K":1833.0,"T_max_K":2026.77,"x_min":0.6,"x_max":0.6,"stable_at_top_of_range":false}],"literature":{"values":29,"accepted_values":29,"papers":1},"corpus":{"in_sgte_corpus":true,"phase_mappings":0,"mapping_basis":{},"printed_labels":[]},"references":[{"doi":"10.1016/j.tca.2017.12.011","citation":"Senlin Cui, Biao Hu, Bin Ouyang, Dongdong Zhao, Thermodynamic assessment of the Mo-S system and its application in thermal decomposition of MoS 2, Thermochimica Acta 660, 44-55 (2018).","roles":["assessment that models this phase","reports values for this phase"],"labels":["MO2S3_HT","Mo2S3","β_Mo2S3"],"values":29,"tdb_files":["MoS-18Cui.tdb"]},{"doi":"10.1007/bfb0047028","citation":"Günter H. Moh, High-temperature metal sulfide chemistry, Topics in Current Chemistry, 107-151 (2006).","roles":["cited as the source of values for this phase"],"labels":[],"values":3},{"doi":"10.1016/j.jallcom.2007.01.175","citation":"I.G. Vasilyeva, R.E. Nikolaev, High-temperature solid–vapor and liquid–vapor transitions in binary and ternary chalcogenides La2S3, MoS2, Mo2S3 and LiInSe2, Journal of Alloys and Compounds 452, 89-93 (2008).","roles":["cited as the source of values for this phase"],"labels":[],"values":3},{"doi":"10.1021/acs.nanolett.6b02443","citation":"Shun-Li Shang, Greta Lindwall, Yi Wang, Joan M. Redwing, Tim Anderson, Zi-Kui Liu, Lateral Versus Vertical Growth of Two-Dimensional Layered Transition-Metal Dichalcogenides: Thermodynamic Insight into MoS<sub>2</sub>, Nano Lett. 16, 5742-5750 (2016).","roles":["cited as the source of values for this phase"],"labels":[],"values":3},{"doi":"10.1016/0036-9748(83)90262-4","citation":"William B. Johnson, William S. Hong, Dennis W. Readey, A molybdenum sulfur binary phase diagram, Scripta Metallurgica 17, 919-922 (1983).","roles":["cited as the source of values for this phase"],"labels":[],"values":2},{"doi":"10.1023/a:1010115620439","citation":"Ya. I. Gibner, I. G. Vasilyeva, Rapid Heating in High-Temperature Thermomicroscopic Analysis, Journal of Thermal Analysis and Calorimetry 53, 151-160 (1998).","roles":["cited as the source of values for this phase"],"labels":[],"values":2}],"total_papers":6},{"id":"phase:mo-s:mo2s3-lt","system":"MO-S","elements":["MO","S"],"preferred_name":"MO2S3_LT","status":"assigned","structure":{"structure_type":"st:mo2s3-mp10","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":"Mo2S3 (low T)","model":"Mo2S3","pearson":"mP10","phase_name":"MO2S3_LT","prototype":"Mo2S3","space_group":{"number":11,"symbol":"P2_1/m"},"strukturbericht":null}]},"prototype":"Mo2S3","strukturbericht":null,"pearson":"mP10","space_group":{"number":11,"symbol":"P2_1/m"},"caveats":["not certain from the name or DFT alone (no_structure_token, polymorph_family:other phases of this system have the same composition); structure as stated in the SGTE crystallographic table for this phase name and system"]},"candidates":[],"review_reasons":[],"names":[{"name":"paper:10.1016/j.tca.2017.12.011:α_Mo2S3","namespace":"paper","label":"α_Mo2S3","basis":"corpus_mapping:unstated"},{"name":"tdb:MoS-18Cui.tdb:MO2S3_LT","namespace":"tdb","label":"MO2S3_LT","tdb_sha256":"f40ff1fdf8952ae30c9663d38efd2c5bcb2608cb8a7e7d9ffc1cf565bba07a0d"},{"name":"corpus:phase:mo-s:mo2s3-lt","namespace":"corpus","label":"phase:mo-s:mo2s3-lt","in_sgte_corpus":true}],"models":[{"tdb":"MoS-18Cui.tdb","path":"databases/sgte-binary/MoS-18Cui.tdb","sha256":"f40ff1fdf8952ae30c9663d38efd2c5bcb2608cb8a7e7d9ffc1cf565bba07a0d","phase_name":"MO2S3_LT","type_code":"%","sublattices":[{"site_ratio":2.0,"constituents":["MO"]},{"site_ratio":3.0,"constituents":["S"]}],"stoichiometric":true,"composition":{"MO":0.4,"S":0.6},"tdb_definition":{"verbatim":{"phase":{"line_start":65,"line_end":65,"text":"PHASE MO2S3_LT % 2 2 3 !"},"constituent":{"line_start":66,"line_end":66,"text":"CONST MO2S3_LT : MO : S : !"},"type_definitions":[{"line_start":85,"line_end":85,"text":"TYPE-DEF % SEQ * !","type_code":"%","amends":null}]},"parsed":{"phase_name":"MO2S3_LT","type_code":"%","type_codes":["%"],"n_sublattices":2,"site_ratios":[2,3],"constituents":[["MO"],["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/MoS-18Cui.tdb","sha256":"f40ff1fdf8952ae30c9663d38efd2c5bcb2608cb8a7e7d9ffc1cf565bba07a0d","decoded_as":"utf-8","website_url":"https://orchid-project.org/data/databases/sgte-binary/MoS-18Cui.tdb","github_url":"https://github.com/orchid-calphad/orchid-pipeline/blob/main/databases/sgte-binary/MoS-18Cui.tdb"}},"tdb_comment_structure":["Prototype Mo2S3 (mP10, P2_1/m, 11)"]}],"stoichiometry":{"MO":0.4,"S":0.6},"stability":[{"tdb":"MoS-18Cui.tdb","tdb_sha256":"f40ff1fdf8952ae30c9663d38efd2c5bcb2608cb8a7e7d9ffc1cf565bba07a0d","diagram":"phase-diagrams/sgte/MoS-18Cui.json","status":"ok","x_element":"S","calc_T_range_K":[300,4000],"stable":true,"T_min_K":882.97,"T_max_K":1833.0,"x_min":0.6,"x_max":0.6,"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.tca.2017.12.011","citation":"Senlin Cui, Biao Hu, Bin Ouyang, Dongdong Zhao, Thermodynamic assessment of the Mo-S system and its application in thermal decomposition of MoS 2, Thermochimica Acta 660, 44-55 (2018).","roles":["assessment that models this phase","reports values for this phase"],"labels":["MO2S3_LT","α_Mo2S3"],"values":11,"tdb_files":["MoS-18Cui.tdb"]},{"doi":"10.1007/bfb0047028","citation":"Günter H. Moh, High-temperature metal sulfide chemistry, Topics in Current Chemistry, 107-151 (2006).","roles":["cited as the source of values for this phase"],"labels":[],"values":1},{"doi":"10.1016/0036-9748(83)90262-4","citation":"William B. Johnson, William S. Hong, Dennis W. Readey, A molybdenum sulfur binary phase diagram, Scripta Metallurgica 17, 919-922 (1983).","roles":["cited as the source of values for this phase"],"labels":[],"values":1},{"doi":"10.1021/acs.nanolett.6b02443","citation":"Shun-Li Shang, Greta Lindwall, Yi Wang, Joan M. Redwing, Tim Anderson, Zi-Kui Liu, Lateral Versus Vertical Growth of Two-Dimensional Layered Transition-Metal Dichalcogenides: Thermodynamic Insight into MoS<sub>2</sub>, Nano Lett. 16, 5742-5750 (2016).","roles":["cited as the source of values for this phase"],"labels":[],"values":1}],"total_papers":4},{"id":"phase:mo-s:mos2-c7","system":"MO-S","elements":["MO","S"],"preferred_name":"MOS2_C7","status":"assigned","structure":{"structure_type":"st:c7-mos2-2h-hp6","basis":"standard_name","tier":"A","confidence":"high","label":"from the standard phase name","prototype":"MoS2 (2H)","strukturbericht":"C7","pearson":"hP6","space_group":{"number":194,"symbol":"P6_3/mmc"}},"candidates":[],"review_reasons":[],"names":[{"name":"paper:10.1016/j.tca.2017.12.011:2H_MoS2","namespace":"paper","label":"2H_MoS2","basis":"corpus_mapping:unstated"},{"name":"paper:10.1016/j.tca.2017.12.011:MoS2","namespace":"paper","label":"MoS2","basis":"corpus_mapping:unstated"},{"name":"tdb:MoS-18Cui.tdb:MOS2_C7","namespace":"tdb","label":"MOS2_C7","tdb_sha256":"f40ff1fdf8952ae30c9663d38efd2c5bcb2608cb8a7e7d9ffc1cf565bba07a0d"},{"name":"corpus:phase:mo-s:mos2-c7","namespace":"corpus","label":"phase:mo-s:mos2-c7","in_sgte_corpus":true}],"models":[{"tdb":"MoS-18Cui.tdb","path":"databases/sgte-binary/MoS-18Cui.tdb","sha256":"f40ff1fdf8952ae30c9663d38efd2c5bcb2608cb8a7e7d9ffc1cf565bba07a0d","phase_name":"MOS2_C7","type_code":"%","sublattices":[{"site_ratio":1.0,"constituents":["MO","S"]},{"site_ratio":2.0,"constituents":["MO","S"]}],"stoichiometric":false,"composition":null,"tdb_definition":{"verbatim":{"phase":{"line_start":75,"line_end":75,"text":"PHASE MOS2_C7 % 2 1 2 !"},"constituent":{"line_start":76,"line_end":76,"text":"CONST MOS2_C7 : MO% S : MO S% : !"},"type_definitions":[{"line_start":85,"line_end":85,"text":"TYPE-DEF % SEQ * !","type_code":"%","amends":null}]},"parsed":{"phase_name":"MOS2_C7","type_code":"%","type_codes":["%"],"n_sublattices":2,"site_ratios":[1,2],"constituents":[["MO%","S"],["MO","S%"]],"major_constituents":[["MO"],["S"]],"magnetic":null,"disordered_part":null,"ordered_partner":null},"parameters":{"total":7,"by_kind":{"G":4,"L":3},"L_by_order":{"0":2,"1":1},"interaction_orders":[0,1],"endmember_G":4},"provenance":{"path":"databases/sgte-binary/MoS-18Cui.tdb","sha256":"f40ff1fdf8952ae30c9663d38efd2c5bcb2608cb8a7e7d9ffc1cf565bba07a0d","decoded_as":"utf-8","website_url":"https://orchid-project.org/data/databases/sgte-binary/MoS-18Cui.tdb","github_url":"https://github.com/orchid-calphad/orchid-pipeline/blob/main/databases/sgte-binary/MoS-18Cui.tdb"}},"tdb_comment_structure":["Prototype MoS2 (hP6, P6_3/mmc, 194)"]}],"stoichiometry":null,"stability":[{"tdb":"MoS-18Cui.tdb","tdb_sha256":"f40ff1fdf8952ae30c9663d38efd2c5bcb2608cb8a7e7d9ffc1cf565bba07a0d","diagram":"phase-diagrams/sgte/MoS-18Cui.json","status":"ok","x_element":"S","calc_T_range_K":[300,4000],"stable":true,"T_min_K":300.0,"T_max_K":1992.94,"x_min":0.65541,"x_max":0.7152,"stable_at_top_of_range":false}],"literature":{"values":28,"accepted_values":28,"papers":1},"corpus":{"in_sgte_corpus":true,"phase_mappings":0,"mapping_basis":{},"printed_labels":[]},"references":[{"doi":"10.1016/j.tca.2017.12.011","citation":"Senlin Cui, Biao Hu, Bin Ouyang, Dongdong Zhao, Thermodynamic assessment of the Mo-S system and its application in thermal decomposition of MoS 2, Thermochimica Acta 660, 44-55 (2018).","roles":["assessment that models this phase","reports values for this phase"],"labels":["2H_MoS2","MOS2_C7","MoS2"],"values":28,"tdb_files":["MoS-18Cui.tdb"]},{"doi":"10.1021/acs.nanolett.6b02443","citation":"Shun-Li Shang, Greta Lindwall, Yi Wang, Joan M. Redwing, Tim Anderson, Zi-Kui Liu, Lateral Versus Vertical Growth of Two-Dimensional Layered Transition-Metal Dichalcogenides: Thermodynamic Insight into MoS<sub>2</sub>, Nano Lett. 16, 5742-5750 (2016).","roles":["cited as the source of values for this phase"],"labels":[],"values":5},{"doi":"10.1016/0036-9748(83)90262-4","citation":"William B. Johnson, William S. Hong, Dennis W. Readey, A molybdenum sulfur binary phase diagram, Scripta Metallurgica 17, 919-922 (1983).","roles":["cited as the source of values for this phase"],"labels":[],"values":2},{"doi":"10.1016/j.jallcom.2007.01.175","citation":"I.G. Vasilyeva, R.E. Nikolaev, High-temperature solid–vapor and liquid–vapor transitions in binary and ternary chalcogenides La2S3, MoS2, Mo2S3 and LiInSe2, Journal of Alloys and Compounds 452, 89-93 (2008).","roles":["cited as the source of values for this phase"],"labels":[],"values":2},{"doi":"10.1007/bfb0047028","citation":"Günter H. Moh, High-temperature metal sulfide chemistry, Topics in Current Chemistry, 107-151 (2006).","roles":["cited as the source of values for this phase"],"labels":[],"values":1},{"doi":"10.1023/a:1010115620439","citation":"Ya. I. Gibner, I. G. Vasilyeva, Rapid Heating in High-Temperature Thermomicroscopic Analysis, Journal of Thermal Analysis and Calorimetry 53, 151-160 (1998).","roles":["cited as the source of values for this phase"],"labels":[],"values":1}],"total_papers":6},{"id":"phase:mo-s:s-monoclinic","system":"MO-S","elements":["MO","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":"MoS-18Cui.tdb: 'Prototype beta-S (mP48, P2_1/a)'"}],"review_reasons":["name_has_descriptive_tokens:MONOCLINIC","no_structure_token"],"names":[{"name":"tdb:MoS-18Cui.tdb:MONOCLINIC_S","namespace":"tdb","label":"MONOCLINIC_S","tdb_sha256":"f40ff1fdf8952ae30c9663d38efd2c5bcb2608cb8a7e7d9ffc1cf565bba07a0d"},{"name":"corpus:phase:mo-s:s-monoclinic","namespace":"corpus","label":"phase:mo-s:s-monoclinic","in_sgte_corpus":false}],"models":[{"tdb":"MoS-18Cui.tdb","path":"databases/sgte-binary/MoS-18Cui.tdb","sha256":"f40ff1fdf8952ae30c9663d38efd2c5bcb2608cb8a7e7d9ffc1cf565bba07a0d","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":60,"line_end":60,"text":"PHASE MONOCLINIC_S % 1 1 !"},"constituent":{"line_start":61,"line_end":61,"text":"CONST MONOCLINIC_S : S : !"},"type_definitions":[{"line_start":85,"line_end":85,"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/MoS-18Cui.tdb","sha256":"f40ff1fdf8952ae30c9663d38efd2c5bcb2608cb8a7e7d9ffc1cf565bba07a0d","decoded_as":"utf-8","website_url":"https://orchid-project.org/data/databases/sgte-binary/MoS-18Cui.tdb","github_url":"https://github.com/orchid-calphad/orchid-pipeline/blob/main/databases/sgte-binary/MoS-18Cui.tdb"}},"tdb_comment_structure":["Prototype beta-S (mP48, P2_1/a)"]}],"stoichiometry":{"S":1.0},"stability":[{"tdb":"MoS-18Cui.tdb","tdb_sha256":"f40ff1fdf8952ae30c9663d38efd2c5bcb2608cb8a7e7d9ffc1cf565bba07a0d","diagram":"phase-diagrams/sgte/MoS-18Cui.json","status":"ok","x_element":"S","calc_T_range_K":[300,4000],"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.tca.2017.12.011","citation":"Senlin Cui, Biao Hu, Bin Ouyang, Dongdong Zhao, Thermodynamic assessment of the Mo-S system and its application in thermal decomposition of MoS 2, Thermochimica Acta 660, 44-55 (2018).","roles":["assessment that models this phase"],"labels":["MONOCLINIC_S"],"values":0,"tdb_files":["MoS-18Cui.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:c7-mos2-2h-hp6":{"id":"st:c7-mos2-2h-hp6","prototype":"MoS2 (2H)","prototype_spellings":[],"strukturbericht":"C7","pearson":"hP6","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:gas":{"id":"st:gas","prototype":null,"prototype_spellings":[],"strukturbericht":null,"pearson":null,"space_group":null,"stoichiometry":null,"sources":[],"verification":"definition (non-crystalline)","registry_phases":231},"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:mo2s3-mp10":{"id":"st:mo2s3-mp10","prototype":"Mo2S3","prototype_spellings":[],"strukturbericht":null,"pearson":"mP10","space_group":{"number":11,"symbol":"P2_1/m"},"stoichiometry":"Mo2S3","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}},"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}"}}}
