{"count":288,"next":"https://simmate.org/third-parties/AflowPrototype/?format=json&ordering=id&page=21","previous":"https://simmate.org/third-parties/AflowPrototype/?format=json&ordering=id&page=19","results":[{"id":229,"created_at":"2022-09-04T14:35:36.662338Z","updated_at":"2022-09-04T14:35:36.662364Z","structure_string":"Cu3 As1 S4\n1.0\n5.280000 0.000000 0.000000\n-0.000000 5.280000 0.000000\n0.000000 0.000000 5.280000\nCu As S\n3 1 4\ndirect\n0.000000 0.500000 0.500000 Cu\n0.500000 0.500000 0.000000 Cu\n0.500000 0.000000 0.500000 Cu\n0.000000 0.000000 0.000000 As\n0.250000 0.250000 0.250000 S\n0.250000 0.750000 0.750000 S\n0.750000 0.250000 0.750000 S\n0.750000 0.750000 0.250000 S\n","nsites":8,"nelements":3,"elements":["Cu","As","S"],"chemical_system":"As-Cu-S","density":4.44267615213006,"density_atomic":0.05434858224114422,"volume":147.19795200000002,"volume_molar":11.080584831596545,"formula_full":"Cu3 As1 S4","formula_reduced":"Cu3AsS4","formula_anonymous":"AB3C4","mineral_name":"Lavarevi\\'{c}ite","aflow_id":"AB3C4_cP8_215_a_c_e","pearson_symbol":"cP8","strukturbericht_symbol":"None","nsites_wyckoff":3,"spacegroup":215},{"id":230,"created_at":"2022-09-04T14:35:36.684684Z","updated_at":"2022-09-04T14:35:36.684707Z","structure_string":"V2 Au4\n1.0\n-4.684000 0.000000 -0.000000\n0.000000 0.000000 -4.810000\n0.000000 -4.241000 2.405000\nAu V\n4 2\ndirect\n1.000000 0.270000 0.660000 Au\n1.000000 0.610000 0.340000 Au\n0.500000 0.830000 0.660000 Au\n0.500000 0.170000 0.340000 Au\n0.000000 0.940000 0.000000 V\n0.500000 0.500000 0.000000 V\n","nsites":6,"nelements":2,"elements":["Au","V"],"chemical_system":"Au-V","density":15.462741853666543,"density_atomic":0.06279441446412806,"volume":95.54989963999999,"volume_molar":9.590249087265889,"formula_full":"V2 Au4","formula_reduced":"VAu2","formula_anonymous":"AB2","mineral_name":null,"aflow_id":"A2B_oC12_38_de_ab","pearson_symbol":"oC12","strukturbericht_symbol":"None","nsites_wyckoff":2,"spacegroup":63},{"id":231,"created_at":"2022-09-04T14:35:36.713346Z","updated_at":"2022-09-04T14:35:36.713368Z","structure_string":"Ca1 Ti1 O3\n1.0\n3.795000 0.000000 0.000000\n-0.000000 3.795000 0.000000\n0.000000 0.000000 3.795000\nCa Ti O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Ca\n0.500000 0.500000 0.500000 Ti\n0.000000 0.500000 0.500000 O\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n","nsites":5,"nelements":3,"elements":["Ca","Ti","O"],"chemical_system":"Ca-O-Ti","density":4.1302015509437355,"density_atomic":0.09148179208503605,"volume":54.655684875,"volume_molar":6.58288455302906,"formula_full":"Ca1 Ti1 O3","formula_reduced":"CaTiO3","formula_anonymous":"ABC3","mineral_name":"(Cubic) Perovskite","aflow_id":"AB3C_cP5_221_a_c_b","pearson_symbol":"cP5","strukturbericht_symbol":"E2_1","nsites_wyckoff":3,"spacegroup":221},{"id":232,"created_at":"2022-09-04T14:35:36.723269Z","updated_at":"2022-09-04T14:35:36.723287Z","structure_string":"Al2 Cd1 S4\n1.0\n5.550000 -0.000000 -0.000000\n-0.000000 5.550000 0.000000\n-2.775000 -2.775000 5.150000\nAl Cd S\n2 1 4\ndirect\n0.500000 0.500000 0.000000 Al\n0.250000 0.750000 0.500000 Al\n0.000000 0.000000 0.000000 Cd\n0.390000 0.380000 0.260000 S\n0.870000 0.880000 0.260000 S\n0.120000 0.610000 0.740000 S\n0.620000 0.130000 0.740000 S\n","nsites":7,"nelements":3,"elements":["Al","Cd","S"],"chemical_system":"Al-Cd-S","density":3.084174043635282,"density_atomic":0.044127044914239875,"volume":158.632875,"volume_molar":13.64727860590693,"formula_full":"Al2 Cd1 S4","formula_reduced":"Al2CdS4","formula_anonymous":"AB2C4","mineral_name":null,"aflow_id":"A2BC4_tI14_82_bc_a_g","pearson_symbol":"tI14","strukturbericht_symbol":"E3","nsites_wyckoff":4,"spacegroup":82},{"id":233,"created_at":"2022-09-04T14:35:36.731674Z","updated_at":"2022-09-04T14:35:36.731688Z","structure_string":"Ba1 Al4\n1.0\n4.530000 -0.000000 -0.000000\n-0.000000 4.530000 0.000000\n-2.265000 -2.265000 5.550000\nAl Ba\n4 1\ndirect\n0.250000 0.750000 0.500000 Al\n0.750000 0.250000 0.500000 Al\n0.380000 0.380000 0.760000 Al\n0.620000 0.620000 0.240000 Al\n0.000000 0.000000 0.000000 Ba\n","nsites":5,"nelements":2,"elements":["Al","Ba"],"chemical_system":"Al-Ba","density":3.5758089925202743,"density_atomic":0.0439016271655191,"volume":113.890995,"volume_molar":13.717352063729125,"formula_full":"Ba1 Al4","formula_reduced":"BaAl4","formula_anonymous":"AB4","mineral_name":null,"aflow_id":"A4B_tI10_139_de_a","pearson_symbol":"tI10","strukturbericht_symbol":"D1_3","nsites_wyckoff":3,"spacegroup":139},{"id":234,"created_at":"2022-09-04T14:35:36.754048Z","updated_at":"2022-09-04T14:35:36.754070Z","structure_string":"U2\n1.0\n2.844400 -0.000000 0.000000\n-1.422200 2.934450 0.000000\n-0.000000 -0.000000 4.931600\nU\n2\ndirect\n0.102280 0.204560 0.250000 U\n0.897720 0.795440 0.750000 U\n","nsites":2,"nelements":1,"elements":["U"],"chemical_system":"U","density":19.204525142654628,"density_atomic":0.048587523960006464,"volume":41.162830228728,"volume_molar":12.39441788586915,"formula_full":"U2","formula_reduced":"U","formula_anonymous":"A","mineral_name":"alpha U","aflow_id":"A_oC4_63_c","pearson_symbol":"oC4","strukturbericht_symbol":"A20","nsites_wyckoff":1,"spacegroup":63},{"id":235,"created_at":"2022-09-04T14:35:36.786942Z","updated_at":"2022-09-04T14:35:36.786959Z","structure_string":"B4 Pd10\n1.0\n-0.000000 4.955000 0.000000\n-0.000000 -0.000000 5.472000\n6.344893 -2.477500 -0.782802\nB Pd\n4 10\ndirect\n0.417000 0.077000 0.212000 B\n0.205000 0.423000 0.788000 B\n0.583000 0.923000 0.788000 B\n0.795000 0.577000 0.212000 B\n0.572700 0.250000 0.000000 Pd\n0.427300 0.750000 0.000000 Pd\n0.191000 0.421300 0.191600 Pd\n0.999400 0.078700 0.808400 Pd\n0.809000 0.578700 0.808400 Pd\n0.000600 0.921300 0.191600 Pd\n0.785300 0.313800 0.425400 Pd\n0.359900 0.186200 0.574600 Pd\n0.214700 0.686200 0.574600 Pd\n0.640100 0.813800 0.425400 Pd\n","nsites":14,"nelements":2,"elements":["B","Pd"],"chemical_system":"B-Pd","density":10.689485977118283,"density_atomic":0.08137930669171355,"volume":172.03390602768002,"volume_molar":7.400088554223582,"formula_full":"B4 Pd10","formula_reduced":"B2Pd5","formula_anonymous":"A2B5","mineral_name":null,"aflow_id":"A2B5_mC28_15_f_e2f","pearson_symbol":"mC28","strukturbericht_symbol":"None","nsites_wyckoff":4,"spacegroup":15},{"id":236,"created_at":"2022-09-04T14:35:36.803500Z","updated_at":"2022-09-04T14:35:36.803519Z","structure_string":"Ti8 Al2 N6\n1.0\n-1.494000 -2.587684 -0.000000\n-1.494000 2.587684 0.000000\n0.000000 0.000000 -23.372000\nTi Al N\n8 2 6\ndirect\n0.000000 0.000000 0.845700 Ti\n0.000000 0.000000 0.345700 Ti\n0.000000 0.000000 0.154300 Ti\n0.000000 0.000000 0.654300 Ti\n0.666670 0.333340 0.946100 Ti\n0.333340 0.666670 0.446100 Ti\n0.333340 0.666670 0.053900 Ti\n0.666670 0.333330 0.553900 Ti\n0.666670 0.333340 0.750000 Al\n0.333340 0.666670 0.250000 Al\n0.000000 0.000000 0.000000 N\n0.000000 0.000000 0.500000 N\n0.666670 0.333340 0.395000 N\n0.333340 0.666670 0.895000 N\n0.333340 0.666670 0.605000 N\n0.666670 0.333330 0.105000 N\n","nsites":16,"nelements":3,"elements":["Ti","Al","N"],"chemical_system":"Al-N-Ti","density":4.78683534679284,"density_atomic":0.08853852270301998,"volume":180.712299138624,"volume_molar":6.801718140475128,"formula_full":"Ti8 Al2 N6","formula_reduced":"Ti4AlN3","formula_anonymous":"AB3C4","mineral_name":"MAX Phase","aflow_id":"AB3C4_hP16_194_c_af_ef","pearson_symbol":"hP16","strukturbericht_symbol":"None","nsites_wyckoff":5,"spacegroup":194},{"id":237,"created_at":"2022-09-04T14:35:36.812518Z","updated_at":"2022-09-04T14:35:36.812537Z","structure_string":"Mo2 S4\n1.0\n-1.580500 -2.737506 -0.000000\n-1.580500 2.737506 0.000000\n0.000000 0.000000 -12.295000\nMo S\n2 4\ndirect\n0.666670 0.333340 0.750000 Mo\n0.333340 0.666670 0.250000 Mo\n0.666670 0.333340 0.372500 S\n0.333340 0.666670 0.872500 S\n0.333340 0.666670 0.627500 S\n0.666670 0.333330 0.127500 S\n","nsites":6,"nelements":2,"elements":["Mo","S"],"chemical_system":"Mo-S","density":4.996673009525922,"density_atomic":0.05639532992838749,"volume":106.39178824947,"volume_molar":10.67843874244037,"formula_full":"Mo2 S4","formula_reduced":"MoS2","formula_anonymous":"AB2","mineral_name":"Molybdenite","aflow_id":"AB2_hP6_194_c_f","pearson_symbol":"hP6","strukturbericht_symbol":"C7","nsites_wyckoff":2,"spacegroup":194},{"id":238,"created_at":"2022-09-04T14:35:36.832832Z","updated_at":"2022-09-04T14:35:36.832854Z","structure_string":"Mg12 Ni6\n1.0\n-2.599000 -4.501600 -0.000000\n-2.599000 4.501600 0.000000\n0.000000 0.000000 -13.210000\nMg Ni\n12 6\ndirect\n0.500000 0.500000 0.837000 Mg\n0.500000 1.000000 0.503667 Mg\n1.000000 0.500000 0.170333 Mg\n0.500000 0.500000 0.163000 Mg\n0.500000 1.000000 0.829667 Mg\n1.000000 0.500000 0.496333 Mg\n0.885900 0.114100 0.000000 Mg\n0.114100 0.228200 0.666667 Mg\n0.228200 0.114100 0.333333 Mg\n0.114100 0.885900 1.000000 Mg\n0.885900 0.771800 0.666667 Mg\n0.771800 0.885900 0.333333 Mg\n0.000000 0.000000 0.500000 Ni\n0.000000 0.000000 0.166667 Ni\n0.000000 0.000000 0.833333 Ni\n0.500000 0.500000 0.500000 Ni\n0.500000 1.000000 0.166667 Ni\n1.000000 0.500000 0.833333 Ni\n","nsites":18,"nelements":2,"elements":["Mg","Ni"],"chemical_system":"Mg-Ni","density":3.4586597201260245,"density_atomic":0.05823264411772327,"volume":309.10497492800005,"volume_molar":10.341520381292705,"formula_full":"Mg12 Ni6","formula_reduced":"Mg2Ni","formula_anonymous":"AB2","mineral_name":null,"aflow_id":"A2B_hP18_180_fi_bd","pearson_symbol":"hP18","strukturbericht_symbol":"C_a","nsites_wyckoff":4,"spacegroup":180},{"id":239,"created_at":"2022-09-04T14:35:36.866476Z","updated_at":"2022-09-04T14:35:36.866497Z","structure_string":"W1\n1.0\n-1.577500 -1.577500 1.577500\n-1.577500 1.577500 -1.577500\n1.577500 -1.577500 -1.577500\nW\n1\ndirect\n0.000000 0.000000 0.000000 W\n","nsites":1,"nelements":1,"elements":["W"],"chemical_system":"W","density":19.44110803802377,"density_atomic":0.06368423040459417,"volume":15.702474437499996,"volume_molar":9.45625113429268,"formula_full":"W1","formula_reduced":"W","formula_anonymous":"A","mineral_name":"Tungsten","aflow_id":"A_cI2_229_a","pearson_symbol":"cI2","strukturbericht_symbol":"A2","nsites_wyckoff":1,"spacegroup":229},{"id":240,"created_at":"2022-09-04T14:35:36.879340Z","updated_at":"2022-09-04T14:35:36.879363Z","structure_string":"Mg4 B16\n1.0\n0.000000 -4.428000 -0.000000\n-5.464000 0.000000 -0.000000\n0.000000 0.000000 -7.472000\nMg B\n4 16\ndirect\n0.750000 0.948690 0.636380 Mg\n0.750000 0.448690 0.863620 Mg\n0.250000 0.051310 0.363620 Mg\n0.250000 0.551310 0.136380 Mg\n0.750000 0.775490 0.343740 B\n0.750000 0.275490 0.156260 B\n0.250000 0.224510 0.656260 B\n0.250000 0.724510 0.843740 B\n0.750000 0.441990 0.353400 B\n0.750000 0.941990 0.146600 B\n0.250000 0.558010 0.646600 B\n0.250000 0.058010 0.853400 B\n0.942100 0.869210 0.934570 B\n0.557900 0.369210 0.565430 B\n0.442100 0.130790 0.065430 B\n0.057900 0.630790 0.434570 B\n0.057900 0.130790 0.065430 B\n0.442100 0.630790 0.434570 B\n0.557900 0.869210 0.934570 B\n0.942100 0.369210 0.565430 B\n","nsites":20,"nelements":2,"elements":["Mg","B"],"chemical_system":"B-Mg","density":2.4818346678500496,"density_atomic":0.11063048837144775,"volume":180.781991424,"volume_molar":5.443472996142205,"formula_full":"Mg4 B16","formula_reduced":"MgB4","formula_anonymous":"AB4","mineral_name":"Magnesium tetraboride","aflow_id":"A4B_oP20_62_2cd_c","pearson_symbol":"oP20","strukturbericht_symbol":"None","nsites_wyckoff":4,"spacegroup":62}]}