{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=energy_uncorrected&page=10265","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=energy_uncorrected&page=10263","results":[{"id":"mp-1215622","created_at":"2022-09-04T14:42:20.138127Z","structure_string":"Zn1 Cu2 Sn1 Se3 S1\n1.0\n4.007028 4.004807 0.000000\n-4.007028 4.004807 0.000000\n0.000000 4.002370 5.709202\nZn Cu Sn Se S\n1 2 1 3 1\ndirect\n0.003912 0.003912 0.007027 Zn\n0.761749 0.244955 0.492929 Cu\n0.244955 0.761749 0.492929 Cu\n0.489687 0.489687 0.006038 Sn\n0.622344 0.622344 0.271892 Se\n0.894181 0.374859 0.731084 Se\n0.374859 0.894181 0.731084 Se\n0.108313 0.108313 0.267017 S\n","nsites":8,"nelements":5,"elements":["Zn","Cu","Sn","Se","S"],"chemical_system":"Cu-S-Se-Sn-Zn","density":5.2575633228869165,"density_atomic":0.04365968656151791,"volume":183.23539700010767,"volume_molar":13.793366911864128,"formula_full":"Zn1 Cu2 Sn1 Se3 S1","formula_reduced":"ZnCu2SnSe3S","formula_anonymous":"ABCD2E3","energy":-33.21834769,"energy_per_atom":-4.15229346125,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-31.29934769,"band_gap":0.0079000000000002,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":7.02e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:35:48.501000Z","spacegroup":8},{"id":"mp-1219747","created_at":"2022-09-04T14:39:27.151910Z","structure_string":"Pr2 Sb2 Pd2\n1.0\n2.498375 -4.327312 0.000000\n2.498375 4.327312 0.000000\n0.000000 0.000000 7.064741\nPr Sb Pd\n2 2 2\ndirect\n0.000000 0.000000 0.272507 Pr\n0.000000 0.000000 0.727493 Pr\n0.333333 0.666667 0.960463 Sb\n0.666667 0.333333 0.039537 Sb\n0.666667 0.333333 0.451325 Pd\n0.333333 0.666667 0.548675 Pd\n","nsites":6,"nelements":3,"elements":["Pr","Sb","Pd"],"chemical_system":"Pd-Pr-Sb","density":8.024288445370692,"density_atomic":0.039277982777448726,"volume":152.75733568081486,"volume_molar":15.33210295987396,"formula_full":"Pr2 Sb2 Pd2","formula_reduced":"PrSbPd","formula_anonymous":"ABC","energy":-31.295411980000004,"energy_per_atom":-5.215901996666667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-31.295411980000004,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":8.64e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:34:24.682000Z","spacegroup":164},{"id":"mp-1228816","created_at":"2022-09-04T14:41:01.171314Z","structure_string":"Al1 V1 Fe2\n1.0\n2.873895 0.000000 0.000000\n0.000000 2.873895 0.000000\n0.000000 0.000000 5.692624\nAl V Fe\n1 1 2\ndirect\n0.500000 0.500000 0.000000 Al\n0.500000 0.500000 0.500000 V\n0.000000 0.000000 0.740929 Fe\n0.000000 0.000000 0.259071 Fe\n","nsites":4,"nelements":3,"elements":["Al","V","Fe"],"chemical_system":"Al-Fe-V","density":6.6967332854459025,"density_atomic":0.08507573274250395,"volume":47.01693269109623,"volume_molar":7.078564669230677,"formula_full":"Al1 V1 Fe2","formula_reduced":"AlVFe2","formula_anonymous":"ABC2","energy":-31.29464492,"energy_per_atom":-7.82366123,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-31.29464492,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":5.4e-06,"is_theoretical":true,"updated_at":"2021-11-28T01:35:12.783000Z","spacegroup":123},{"id":"mp-1113029","created_at":"2022-09-04T14:39:45.975360Z","structure_string":"Cs2 K1 Tl1 Cl6\n1.0\n0.000000 5.645439 5.645439\n5.645439 0.000000 5.645439\n5.645439 5.645439 0.000000\nCs K Tl Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Cs\n0.250000 0.250000 0.250000 Cs\n0.500000 0.500000 0.500000 K\n0.000000 0.000000 0.000000 Tl\n0.767540 0.232460 0.232460 Cl\n0.232460 0.232460 0.767540 Cl\n0.232460 0.767540 0.767540 Cl\n0.232460 0.767540 0.232460 Cl\n0.767540 0.232460 0.767540 Cl\n0.767540 0.767540 0.232460 Cl\n","nsites":10,"nelements":4,"elements":["Cs","K","Tl","Cl"],"chemical_system":"Cl-Cs-K-Tl","density":3.3317273973993755,"density_atomic":0.02778925135080734,"volume":359.8513638874794,"volume_molar":21.670755660083817,"formula_full":"Cs2 K1 Tl1 Cl6","formula_reduced":"Cs2KTlCl6","formula_anonymous":"ABC2D6","energy":-34.97664386,"energy_per_atom":-3.4976643860000003,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-31.29264386,"band_gap":2.3439,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0006886,"is_theoretical":true,"updated_at":"2021-11-28T01:34:30.662000Z","spacegroup":225},{"id":"mp-999557","created_at":"2022-09-04T14:42:17.325947Z","structure_string":"Mn2 Sn1 Ru1\n1.0\n0.000000 3.140670 3.140670\n3.140670 0.000000 3.140670\n3.140670 3.140670 0.000000\nMn Sn Ru\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Mn\n0.250000 0.250000 0.250000 Mn\n0.750000 0.750000 0.750000 Sn\n0.500000 0.500000 0.500000 Ru\n","nsites":4,"nelements":3,"elements":["Mn","Sn","Ru"],"chemical_system":"Mn-Ru-Sn","density":8.835136969176613,"density_atomic":0.0645599339367865,"volume":61.957932049877535,"volume_molar":9.327984700071946,"formula_full":"Mn2 Sn1 Ru1","formula_reduced":"Mn2SnRu","formula_anonymous":"ABC2","energy":-31.29152974,"energy_per_atom":-7.822882435,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-31.29152974,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":7.1484371,"is_theoretical":false,"updated_at":"2021-11-28T01:35:48.259000Z","spacegroup":216},{"id":"mp-1025168","created_at":"2022-09-04T14:40:55.892037Z","structure_string":"Ru1 F6\n1.0\n-3.159420 3.159420 3.159420\n3.159420 -3.159420 3.159420\n3.159421 3.159420 -3.159420\nRu F\n1 6\ndirect\n0.000000 0.000000 0.000000 Ru\n0.000000 0.294062 0.294062 F\n0.000000 0.705938 0.705938 F\n0.294062 0.000000 0.294062 F\n0.705938 0.000000 0.705938 F\n0.294062 0.294062 0.000000 F\n0.705938 0.705938 0.000000 F\n","nsites":7,"nelements":2,"elements":["Ru","F"],"chemical_system":"F-Ru","density":2.830918955006563,"density_atomic":0.055490148989559805,"volume":126.14851694337702,"volume_molar":10.85263036711802,"formula_full":"Ru1 F6","formula_reduced":"RuF6","formula_anonymous":"AB6","energy":-34.06296499,"energy_per_atom":-4.866137855714285,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-31.29096499,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":2.0036712,"is_theoretical":true,"updated_at":"2021-11-28T01:35:21.024000Z","spacegroup":229},{"id":"mp-1184774","created_at":"2022-09-04T14:48:10.710924Z","structure_string":"Ir2 N2\n1.0\n1.433454 -2.482814 0.000000\n1.433454 2.482814 0.000000\n0.000000 0.000000 6.562251\nIr N\n2 2\ndirect\n0.666667 0.333333 0.527748 Ir\n0.333333 0.666667 0.027748 Ir\n0.666667 0.333333 0.847253 N\n0.333333 0.666667 0.347253 N\n","nsites":4,"nelements":2,"elements":["Ir","N"],"chemical_system":"Ir-N","density":14.662461603496181,"density_atomic":0.08563458777518171,"volume":46.71009814984203,"volume_molar":7.032369649294108,"formula_full":"Ir2 N2","formula_reduced":"IrN","formula_anonymous":"AB","energy":-32.01282547,"energy_per_atom":-8.0032063675,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-31.29082547,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0001914,"is_theoretical":true,"updated_at":"2021-11-28T01:38:25.021000Z","spacegroup":186},{"id":"mp-31368","created_at":"2022-09-04T14:39:43.922242Z","structure_string":"K2 Cl2 O4\n1.0\n3.100020 -3.305739 0.000000\n3.100020 3.305739 0.000000\n0.000000 0.000000 7.566479\nK Cl O\n2 2 4\ndirect\n0.000000 0.000000 0.000000 K\n0.000000 0.000000 0.500000 K\n0.465354 0.534646 0.250000 Cl\n0.534646 0.465354 0.750000 Cl\n0.534901 0.882506 0.250000 O\n0.465099 0.117494 0.750000 O\n0.117494 0.465099 0.250000 O\n0.882506 0.534901 0.750000 O\n","nsites":8,"nelements":3,"elements":["K","Cl","O"],"chemical_system":"Cl-K-O","density":2.2817920929189763,"density_atomic":0.05158614838789176,"volume":155.08038979467113,"volume_molar":11.673949205739714,"formula_full":"K2 Cl2 O4","formula_reduced":"KClO2","formula_anonymous":"ABC2","energy":-34.03873454,"energy_per_atom":-4.2548418175,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-31.29073454,"band_gap":2.3095,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0001561,"is_theoretical":false,"updated_at":"2021-11-28T01:34:39.091000Z","spacegroup":63},{"id":"mp-865019","created_at":"2022-09-04T14:48:24.332422Z","structure_string":"Hf1 Ga1 Rh2\n1.0\n0.000000 3.159349 3.159349\n3.159349 0.000000 3.159349\n3.159349 3.159349 0.000000\nHf Ga Rh\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Hf\n0.500000 0.500000 0.500000 Ga\n0.250000 0.250000 0.250000 Rh\n0.750000 0.750000 0.750000 Rh\n","nsites":4,"nelements":3,"elements":["Hf","Ga","Rh"],"chemical_system":"Ga-Hf-Rh","density":11.953775703642195,"density_atomic":0.06342159879273221,"volume":63.06999628111519,"volume_molar":9.495409883438805,"formula_full":"Hf1 Ga1 Rh2","formula_reduced":"HfGaRh2","formula_anonymous":"ABC2","energy":-31.29070078,"energy_per_atom":-7.822675195,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-31.29070078,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0237414,"is_theoretical":true,"updated_at":"2021-11-28T01:39:39.638000Z","spacegroup":225},{"id":"mp-1206822","created_at":"2022-09-04T14:39:39.901546Z","structure_string":"Pr3 Sn1 N1\n1.0\n5.060778 0.000000 0.000000\n0.000000 5.060778 0.000000\n0.000000 0.000000 5.060778\nPr Sn N\n3 1 1\ndirect\n0.500000 0.000000 0.000000 Pr\n0.000000 0.500000 0.000000 Pr\n0.000000 0.000000 0.500000 Pr\n0.500000 0.500000 0.500000 Sn\n0.000000 0.000000 0.000000 N\n","nsites":5,"nelements":3,"elements":["Pr","Sn","N"],"chemical_system":"N-Pr-Sn","density":7.115970125778178,"density_atomic":0.0385760845090914,"volume":129.61398399108202,"volume_molar":15.61107312117365,"formula_full":"Pr3 Sn1 N1","formula_reduced":"Pr3SnN","formula_anonymous":"ABC3","energy":-31.65108697,"energy_per_atom":-6.330217394,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-31.29008697,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0009149,"is_theoretical":true,"updated_at":"2021-11-28T01:34:26.848000Z","spacegroup":221},{"id":"mp-1111038","created_at":"2022-09-04T14:46:56.645594Z","structure_string":"Rb2 Ga1 Au1 Cl6\n1.0\n0.000000 5.147348 5.147348\n5.147348 0.000000 5.147348\n5.147348 5.147348 0.000000\nRb Ga Au Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Ga\n0.500000 0.500000 0.500000 Au\n0.763912 0.236088 0.236088 Cl\n0.236088 0.236088 0.763912 Cl\n0.236088 0.763912 0.763912 Cl\n0.236088 0.763912 0.236088 Cl\n0.763912 0.236088 0.763912 Cl\n0.763912 0.763912 0.236088 Cl\n","nsites":10,"nelements":4,"elements":["Rb","Ga","Au","Cl"],"chemical_system":"Au-Cl-Ga-Rb","density":3.9592332870072506,"density_atomic":0.036662275089222617,"volume":272.75994126561005,"volume_molar":16.425987599908364,"formula_full":"Rb2 Ga1 Au1 Cl6","formula_reduced":"Rb2GaAuCl6","formula_anonymous":"ABC2D6","energy":-34.97382769,"energy_per_atom":-3.497382769,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-31.28982769,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0004422,"is_theoretical":true,"updated_at":"2021-11-28T01:37:47.098000Z","spacegroup":225},{"id":"mp-1112427","created_at":"2022-09-04T14:40:21.591291Z","structure_string":"K2 Ga1 Au1 Cl6\n1.0\n0.000000 5.114716 5.114716\n5.114716 0.000000 5.114716\n5.114716 5.114716 0.000000\nK Ga Au Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.000000 0.000000 0.000000 Ga\n0.500000 0.500000 0.500000 Au\n0.763366 0.236634 0.236634 Cl\n0.236634 0.236634 0.763366 Cl\n0.236634 0.763366 0.763366 Cl\n0.236634 0.763366 0.236634 Cl\n0.763366 0.236634 0.763366 Cl\n0.763366 0.763366 0.236634 Cl\n","nsites":10,"nelements":4,"elements":["K","Ga","Au","Cl"],"chemical_system":"Au-Cl-Ga-K","density":3.460035397264673,"density_atomic":0.03736847994067122,"volume":267.6052120898868,"volume_molar":16.11556255314952,"formula_full":"K2 Ga1 Au1 Cl6","formula_reduced":"K2GaAuCl6","formula_anonymous":"ABC2D6","energy":-34.97239443,"energy_per_atom":-3.4972394430000002,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-31.28839443,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":4.42e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:34:51.472000Z","spacegroup":225}]}