{"count":288,"next":"https://simmate.org/third-parties/AflowPrototype/?format=json&ordering=volume&page=7","previous":"https://simmate.org/third-parties/AflowPrototype/?format=json&ordering=volume&page=5","results":[{"id":56,"created_at":"2022-09-04T14:35:36.803558Z","updated_at":"2022-09-04T14:35:36.803579Z","structure_string":"Ni4 Mo1\n1.0\n0.000000 0.000000 3.564000\n-2.860000 2.860000 1.782000\n-2.860000 -2.860000 1.782000\nMo Ni\n1 4\ndirect\n0.000000 0.000000 0.000000 Mo\n0.400000 0.400000 0.800000 Ni\n0.600000 0.600000 0.200000 Ni\n0.200000 0.200000 0.400000 Ni\n0.800000 0.800000 0.600000 Ni\n","nsites":5,"nelements":2,"elements":["Mo","Ni"],"chemical_system":"Mo-Ni","density":9.418926220544993,"density_atomic":0.08575713174145046,"volume":58.3041888,"volume_molar":7.022320637024309,"formula_full":"Ni4 Mo1","formula_reduced":"Ni4Mo","formula_anonymous":"AB4","mineral_name":null,"aflow_id":"AB4_tI10_87_a_h","pearson_symbol":"tI10","strukturbericht_symbol":"D1_a","nsites_wyckoff":2,"spacegroup":87},{"id":40,"created_at":"2022-09-04T14:35:36.460961Z","updated_at":"2022-09-04T14:35:36.460982Z","structure_string":"Si3 C3\n1.0\n-1.508955 -2.613587 -0.000000\n1.508955 -2.613587 -0.000000\n-0.000000 -1.742391 7.392343\nC Si\n3 3\ndirect\n0.000000 0.000000 0.000000 C\n0.777780 0.777780 0.666660 C\n0.222220 0.222220 0.333340 C\n0.916670 0.916670 0.249990 Si\n0.694440 0.694440 0.916680 Si\n0.138890 0.138890 0.583330 Si\n","nsites":6,"nelements":2,"elements":["C","Si"],"chemical_system":"C-Si","density":3.425691205063563,"density_atomic":0.10290249272657302,"volume":58.307625413340354,"volume_molar":5.852278793674814,"formula_full":"Si3 C3","formula_reduced":"SiC","formula_anonymous":"AB","mineral_name":"Moissanite 9R","aflow_id":"AB_hR6_160_3a_3a","pearson_symbol":"hR6","strukturbericht_symbol":"None","nsites_wyckoff":6,"spacegroup":160},{"id":105,"created_at":"2022-09-04T14:35:37.168205Z","updated_at":"2022-09-04T14:35:37.168223Z","structure_string":"Fe4 C1\n1.0\n3.878000 0.000000 0.000000\n-0.000000 3.878000 0.000000\n0.000000 0.000000 3.878000\nFe C\n4 1\ndirect\n0.265000 0.265000 0.265000 Fe\n0.265000 0.735000 0.735000 Fe\n0.735000 0.265000 0.735000 Fe\n0.735000 0.735000 0.265000 Fe\n0.000000 0.000000 0.000000 C\n","nsites":5,"nelements":2,"elements":["Fe","C"],"chemical_system":"C-Fe","density":6.702162965235311,"density_atomic":0.08573271753525957,"volume":58.32079215200001,"volume_molar":7.0243203914809484,"formula_full":"Fe4 C1","formula_reduced":"Fe4C","formula_anonymous":"AB4","mineral_name":"Iron carbide","aflow_id":"AB4_cP5_215_a_e","pearson_symbol":"cP5","strukturbericht_symbol":"None","nsites_wyckoff":2,"spacegroup":215},{"id":159,"created_at":"2022-09-04T14:35:36.692381Z","updated_at":"2022-09-04T14:35:36.692404Z","structure_string":"Mg1 Ag1 As1\n1.0\n-3.120000 -3.120000 0.000000\n-3.120000 0.000000 -3.120000\n0.000000 -3.120000 -3.120000\nAg As Mg\n1 1 1\ndirect\n0.500000 0.500000 0.500000 Ag\n0.750000 0.750000 0.750000 As\n0.000000 0.000000 0.000000 Mg\n","nsites":3,"nelements":3,"elements":["Ag","As","Mg"],"chemical_system":"Ag-As-Mg","density":5.661408778202153,"density_atomic":0.0493886865928286,"volume":60.742656000000004,"volume_molar":12.193360818941954,"formula_full":"Mg1 Ag1 As1","formula_reduced":"MgAgAs","formula_anonymous":"ABC","mineral_name":"half-Heusler","aflow_id":"ABC_cF12_216_b_c_a","pearson_symbol":"cF12","strukturbericht_symbol":"C1_b","nsites_wyckoff":3,"spacegroup":216},{"id":201,"created_at":"2022-09-04T14:35:36.896620Z","updated_at":"2022-09-04T14:35:36.896649Z","structure_string":"Be4 O4\n1.0\n-0.000000 -0.000000 2.740000\n4.750000 -0.000000 0.000000\n-0.000000 4.750000 0.000000\nBe O\n4 4\ndirect\n1.000000 0.336000 0.664000 Be\n0.500000 0.836000 0.836000 Be\n0.500000 0.164000 0.164000 Be\n0.000000 0.664000 0.336000 Be\n0.000000 0.310000 0.310000 O\n0.500000 0.810000 0.190000 O\n0.500000 0.190000 0.810000 O\n1.000000 0.690000 0.690000 O\n","nsites":8,"nelements":2,"elements":["Be","O"],"chemical_system":"Be-O","density":2.6872772083042222,"density_atomic":0.129405342014275,"volume":61.821250000000006,"volume_molar":4.653703368239376,"formula_full":"Be4 O4","formula_reduced":"BeO","formula_anonymous":"AB","mineral_name":"beta beryllia","aflow_id":"AB_tP8_136_g_f","pearson_symbol":"tP8","strukturbericht_symbol":"None","nsites_wyckoff":2,"spacegroup":136},{"id":259,"created_at":"2022-09-04T14:35:36.548441Z","updated_at":"2022-09-04T14:35:36.548459Z","structure_string":"Ti3 Cu1\n1.0\n-0.000000 -0.000000 3.594000\n4.158000 -0.000000 0.000000\n-0.000000 4.158000 0.000000\nTi Cu\n3 1\ndirect\n1.000000 0.500000 0.500000 Ti\n0.500000 0.000000 0.500000 Ti\n0.500000 0.500000 0.000000 Ti\n0.000000 0.000000 0.000000 Cu\n","nsites":4,"nelements":2,"elements":["Ti","Cu"],"chemical_system":"Cu-Ti","density":5.535803969164532,"density_atomic":0.06437436358450029,"volume":62.136536616000015,"volume_molar":9.354874246011153,"formula_full":"Ti3 Cu1","formula_reduced":"Ti3Cu","formula_anonymous":"AB3","mineral_name":null,"aflow_id":"AB3_tP4_123_a_ce","pearson_symbol":"tP4","strukturbericht_symbol":"L6_0","nsites_wyckoff":3,"spacegroup":123},{"id":113,"created_at":"2022-09-04T14:35:36.521027Z","updated_at":"2022-09-04T14:35:36.521038Z","structure_string":"Ti2 O4\n1.0\n-0.000000 -0.000000 2.957400\n4.592200 -0.000000 0.000000\n-0.000000 4.592200 0.000000\nTi O\n2 4\ndirect\n0.000000 0.000000 0.000000 Ti\n0.500000 0.500000 0.500000 Ti\n0.000000 0.304960 0.304960 O\n0.500000 0.804960 0.195040 O\n0.500000 0.195040 0.804960 O\n0.000000 0.695040 0.695040 O\n","nsites":6,"nelements":2,"elements":["Ti","O"],"chemical_system":"O-Ti","density":4.252930467602608,"density_atomic":0.09620543183908406,"volume":62.366540904215995,"volume_molar":6.25966813399144,"formula_full":"Ti2 O4","formula_reduced":"TiO2","formula_anonymous":"AB2","mineral_name":"Rutile","aflow_id":"A2B_tP6_136_f_a","pearson_symbol":"tP6","strukturbericht_symbol":"C4","nsites_wyckoff":2,"spacegroup":136},{"id":224,"created_at":"2022-09-04T14:35:36.564391Z","updated_at":"2022-09-04T14:35:36.564405Z","structure_string":"B1 P1 O4\n1.0\n-4.340400 0.000000 0.000000\n-0.000000 4.340400 0.000000\n2.170200 -2.170200 -3.325100\nB O P\n1 4 1\ndirect\n0.750000 0.250000 0.500000 B\n0.371800 0.884400 0.255600 O\n0.883800 0.371200 0.255600 O\n0.115600 0.116200 0.744400 O\n0.628800 0.628200 0.744400 O\n0.000000 0.000000 0.000000 P\n","nsites":6,"nelements":3,"elements":["B","O","P"],"chemical_system":"B-O-P","density":2.804129956565944,"density_atomic":0.0957826900118294,"volume":62.64179883921599,"volume_molar":6.287295501156055,"formula_full":"B1 P1 O4","formula_reduced":"BPO4","formula_anonymous":"ABC4","mineral_name":null,"aflow_id":"AB4C_tI12_82_c_g_a","pearson_symbol":"tI12","strukturbericht_symbol":"H0_7","nsites_wyckoff":3,"spacegroup":82},{"id":191,"created_at":"2022-09-04T14:35:36.627156Z","updated_at":"2022-09-04T14:35:36.627177Z","structure_string":"Nb2 P2\n1.0\n3.325000 -0.000000 -0.000000\n-0.000000 3.325000 0.000000\n-1.662500 -1.662500 5.690000\nNb P\n2 2\ndirect\n0.125000 0.875000 0.250000 Nb\n0.875000 0.125000 0.750000 Nb\n0.375000 0.625000 0.750000 P\n0.625000 0.375000 0.250000 P\n","nsites":4,"nelements":2,"elements":["Nb","P"],"chemical_system":"Nb-P","density":6.540112545733867,"density_atomic":0.06358642751678806,"volume":62.90650625000001,"volume_molar":9.470795883932995,"formula_full":"Nb2 P2","formula_reduced":"NbP","formula_anonymous":"AB","mineral_name":"alpha Niobium phosphide","aflow_id":"AB_tI8_141_a_b","pearson_symbol":"tI8","strukturbericht_symbol":"\"40\"","nsites_wyckoff":2,"spacegroup":141},{"id":268,"created_at":"2022-09-04T14:35:36.727483Z","updated_at":"2022-09-04T14:35:36.727503Z","structure_string":"Ti1 Al3\n1.0\n3.853700 -0.000000 -0.000000\n-0.000000 3.853700 0.000000\n-1.926850 -1.926850 4.291950\nAl Ti\n3 1\ndirect\n0.500000 0.500000 0.000000 Al\n0.250000 0.750000 0.500000 Al\n0.750000 0.250000 0.500000 Al\n0.000000 0.000000 0.000000 Ti\n","nsites":4,"nelements":2,"elements":["Al","Ti"],"chemical_system":"Al-Ti","density":3.3557814231613325,"density_atomic":0.06275517303791003,"volume":63.73976528729549,"volume_molar":9.596245964236381,"formula_full":"Ti1 Al3","formula_reduced":"TiAl3","formula_anonymous":"AB3","mineral_name":null,"aflow_id":"A3B_tI8_139_bd_a","pearson_symbol":"tI8","strukturbericht_symbol":"D0_22","nsites_wyckoff":3,"spacegroup":139},{"id":74,"created_at":"2022-09-04T14:35:36.463203Z","updated_at":"2022-09-04T14:35:36.463219Z","structure_string":"Fe4 B4\n1.0\n-0.000000 2.946000 0.000000\n-0.000000 -0.000000 4.053000\n5.495000 -0.000000 0.000000\nFe B\n4 4\ndirect\n0.250000 0.125000 0.820000 Fe\n0.250000 0.375000 0.320000 Fe\n0.750000 0.875000 0.180000 Fe\n0.750000 0.625000 0.680000 Fe\n0.250000 0.690000 0.125000 B\n0.250000 0.810000 0.625000 B\n0.750000 0.310000 0.875000 B\n0.750000 0.190000 0.375000 B\n","nsites":8,"nelements":2,"elements":["Fe","B"],"chemical_system":"B-Fe","density":6.747941269310069,"density_atomic":0.12193066544059529,"volume":65.61105831,"volume_molar":4.938987856942346,"formula_full":"Fe4 B4","formula_reduced":"FeB","formula_anonymous":"AB","mineral_name":"Iron Boride","aflow_id":"AB_oP8_62_c_c","pearson_symbol":"oP8","strukturbericht_symbol":"B27","nsites_wyckoff":2,"spacegroup":62},{"id":167,"created_at":"2022-09-04T14:35:36.867844Z","updated_at":"2022-09-04T14:35:36.867858Z","structure_string":"Cd1 Pt3\n1.0\n0.000000 0.000000 -2.872550\n-2.910340 -3.936515 -0.000000\n-2.910340 3.936515 0.000000\nCd Pt\n1 3\ndirect\n0.000000 0.000000 0.000000 Cd\n1.000000 0.500000 0.500000 Pt\n0.500000 0.500000 1.000000 Pt\n0.500000 0.000000 0.500000 Pt\n","nsites":4,"nelements":2,"elements":["Cd","Pt"],"chemical_system":"Cd-Pt","density":17.601170792898873,"density_atomic":0.060772452082032746,"volume":65.81929579870601,"volume_molar":9.909326600597106,"formula_full":"Cd1 Pt3","formula_reduced":"CdPt3","formula_anonymous":"AB3","mineral_name":null,"aflow_id":"AB3_oC8_65_a_bf","pearson_symbol":"oC8","strukturbericht_symbol":"L1_3","nsites_wyckoff":3,"spacegroup":65}]}