{"count":288,"next":"https://simmate.org/third-parties/AflowPrototype/?format=json&ordering=nelements&page=14","previous":"https://simmate.org/third-parties/AflowPrototype/?format=json&ordering=nelements&page=12","results":[{"id":242,"created_at":"2022-09-04T14:35:36.907125Z","updated_at":"2022-09-04T14:35:36.907146Z","structure_string":"Fe4 Si4\n1.0\n4.486880 0.000000 0.000000\n-0.000000 4.486880 0.000000\n0.000000 0.000000 4.486880\nFe Si\n4 4\ndirect\n0.136520 0.136520 0.136520 Fe\n0.636520 0.363480 0.863480 Fe\n0.863480 0.636520 0.363480 Fe\n0.363480 0.863480 0.636520 Fe\n0.842400 0.842400 0.842400 Si\n0.342400 0.657600 0.157600 Si\n0.157600 0.342400 0.657600 Si\n0.657600 0.157600 0.342400 Si\n","nsites":8,"nelements":2,"elements":["Fe","Si"],"chemical_system":"Fe-Si","density":6.171568237297011,"density_atomic":0.08856387760776233,"volume":90.33028155599668,"volume_molar":6.799770880258047,"formula_full":"Fe4 Si4","formula_reduced":"FeSi","formula_anonymous":"AB","mineral_name":null,"aflow_id":"AB_cP8_198_a_a","pearson_symbol":"cP8","strukturbericht_symbol":"B20","nsites_wyckoff":2,"spacegroup":198},{"id":169,"created_at":"2022-09-04T14:35:36.909936Z","updated_at":"2022-09-04T14:35:36.909960Z","structure_string":"Tl4 F4\n1.0\n0.000000 0.000000 -5.183000\n0.000000 -5.488600 -0.000000\n-6.095560 0.000000 -0.000000\nTl F\n4 4\ndirect\n0.750000 0.990400 0.745000 Tl\n0.250000 0.509600 0.745000 Tl\n0.750000 0.490400 0.255000 Tl\n0.250000 0.009600 0.255000 Tl\n0.750000 0.937200 0.140700 F\n0.250000 0.562800 0.140700 F\n0.750000 0.437200 0.859300 F\n0.250000 0.062800 0.859300 F\n","nsites":8,"nelements":2,"elements":["Tl","F"],"chemical_system":"F-Tl","density":8.55658139844498,"density_atomic":0.04613532521730779,"volume":173.402917662728,"volume_molar":13.053209729495478,"formula_full":"Tl4 F4","formula_reduced":"TlF","formula_anonymous":"AB","mineral_name":"TlF-II","aflow_id":"AB_oP8_57_d_d","pearson_symbol":"oP8","strukturbericht_symbol":"None","nsites_wyckoff":2,"spacegroup":57},{"id":128,"created_at":"2022-09-04T14:35:36.913370Z","updated_at":"2022-09-04T14:35:36.913393Z","structure_string":"Mg8 Ni16\n1.0\n-2.412000 -4.177707 -0.000000\n-2.412000 4.177707 0.000000\n0.000000 0.000000 -15.826000\nMg Ni\n8 16\ndirect\n0.000000 0.000000 0.954020 Mg\n0.000000 0.000000 0.454020 Mg\n0.000000 0.000000 0.045980 Mg\n0.000000 0.000000 0.545980 Mg\n0.666670 0.333340 0.155830 Mg\n0.333340 0.666670 0.655830 Mg\n0.333340 0.666670 0.844170 Mg\n0.666670 0.333330 0.344170 Mg\n0.666670 0.333340 0.874860 Ni\n0.333340 0.666670 0.374860 Ni\n0.333340 0.666670 0.125140 Ni\n0.666670 0.333330 0.625140 Ni\n0.500000 0.500000 1.000000 Ni\n0.500000 1.000000 0.500000 Ni\n1.000000 0.500000 0.000000 Ni\n0.500000 0.500000 0.500000 Ni\n0.500000 1.000000 1.000000 Ni\n1.000000 0.500000 0.500000 Ni\n0.835710 0.164290 0.750000 Ni\n0.164290 0.328580 0.250000 Ni\n0.328580 0.164290 0.750000 Ni\n0.164290 0.835710 0.250000 Ni\n0.835710 0.671420 0.750000 Ni\n0.671420 0.835710 0.250000 Ni\n","nsites":24,"nelements":2,"elements":["Mg","Ni"],"chemical_system":"Mg-Ni","density":5.901567292871561,"density_atomic":0.0752479726164109,"volume":318.94547009716797,"volume_molar":8.003060482039652,"formula_full":"Mg8 Ni16","formula_reduced":"MgNi2","formula_anonymous":"AB2","mineral_name":"Hexagonal Laves","aflow_id":"AB2_hP24_194_ef_fgh","pearson_symbol":"hP24","strukturbericht_symbol":"C36","nsites_wyckoff":5,"spacegroup":194},{"id":276,"created_at":"2022-09-04T14:35:36.916251Z","updated_at":"2022-09-04T14:35:36.916281Z","structure_string":"Mg2 Cu4\n1.0\n-3.510000 -3.510000 0.000000\n-3.510000 0.000000 -3.510000\n0.000000 -3.510000 -3.510000\nCu Mg\n4 2\ndirect\n0.500000 0.500000 0.500000 Cu\n0.500000 0.500000 1.000000 Cu\n0.500000 0.000000 0.500000 Cu\n0.000000 0.500000 0.500000 Cu\n0.875000 0.875000 0.875000 Mg\n0.125000 0.125000 0.125000 Mg\n","nsites":6,"nelements":2,"elements":["Cu","Mg"],"chemical_system":"Cu-Mg","density":5.813598265000027,"density_atomic":0.0693745062703107,"volume":86.48710199999998,"volume_molar":8.68062503614129,"formula_full":"Mg2 Cu4","formula_reduced":"MgCu2","formula_anonymous":"AB2","mineral_name":"Cubic Laves","aflow_id":"A2B_cF24_227_d_a","pearson_symbol":"cF24","strukturbericht_symbol":"C15","nsites_wyckoff":2,"spacegroup":227},{"id":62,"created_at":"2022-09-04T14:35:36.919954Z","updated_at":"2022-09-04T14:35:36.919979Z","structure_string":"Si4 O8\n1.0\n4.957000 0.000000 0.000000\n-0.000000 4.957000 0.000000\n0.000000 0.000000 6.890300\nSi O\n4 8\ndirect\n0.304700 0.304700 0.000000 Si\n0.804700 0.195300 0.750000 Si\n0.195300 0.804700 0.250000 Si\n0.695300 0.695300 0.500000 Si\n0.238100 0.110900 0.182600 O\n0.738100 0.389100 0.567400 O\n0.261900 0.610900 0.067400 O\n0.761900 0.889100 0.682600 O\n0.889100 0.761900 0.317400 O\n0.389100 0.738100 0.432600 O\n0.610900 0.261900 0.932600 O\n0.110900 0.238100 0.817400 O\n","nsites":12,"nelements":2,"elements":["Si","O"],"chemical_system":"O-Si","density":2.35718747934211,"density_atomic":0.07087699184252814,"volume":169.3074111647,"volume_molar":8.496608847875159,"formula_full":"Si4 O8","formula_reduced":"SiO2","formula_anonymous":"AB2","mineral_name":"low (alpha) Cristobalite","aflow_id":"A2B_tP12_92_b_a","pearson_symbol":"tP12","strukturbericht_symbol":"None","nsites_wyckoff":2,"spacegroup":92},{"id":64,"created_at":"2022-09-04T14:35:36.948308Z","updated_at":"2022-09-04T14:35:36.948337Z","structure_string":"Zn2 S2\n1.0\n-1.911350 -3.310555 -0.000000\n-1.911350 3.310555 0.000000\n0.000000 0.000000 -6.260700\nZn S\n2 2\ndirect\n0.666670 0.333340 0.000000 Zn\n0.333340 0.666670 0.500000 Zn\n0.666670 0.333340 0.625200 S\n0.333340 0.666670 0.125200 S\n","nsites":4,"nelements":2,"elements":["Zn","S"],"chemical_system":"S-Zn","density":4.0857704561130515,"density_atomic":0.05048543161923218,"volume":79.23077750762894,"volume_molar":11.928472366879587,"formula_full":"Zn2 S2","formula_reduced":"ZnS","formula_anonymous":"AB","mineral_name":"Wurtzite","aflow_id":"AB_hP4_186_b_b","pearson_symbol":"hP4","strukturbericht_symbol":"B4","nsites_wyckoff":2,"spacegroup":186},{"id":132,"created_at":"2022-09-04T14:35:36.979876Z","updated_at":"2022-09-04T14:35:36.979897Z","structure_string":"Ca2 In4\n1.0\n-2.447500 -4.239194 -0.000000\n-2.447500 4.239194 0.000000\n0.000000 0.000000 -7.750000\nCa In\n2 4\ndirect\n0.000000 0.000000 0.750000 Ca\n0.000000 0.000000 0.250000 Ca\n0.666670 0.333340 0.955000 In\n0.333340 0.666670 0.455000 In\n0.333340 0.666670 0.045000 In\n0.666670 0.333330 0.545000 In\n","nsites":6,"nelements":2,"elements":["Ca","In"],"chemical_system":"Ca-In","density":5.569867866319793,"density_atomic":0.037308995807229406,"volume":160.81912338249998,"volume_molar":16.14125663182037,"formula_full":"Ca2 In4","formula_reduced":"CaIn2","formula_anonymous":"AB2","mineral_name":null,"aflow_id":"AB2_hP6_194_b_f","pearson_symbol":"hP6","strukturbericht_symbol":"None","nsites_wyckoff":2,"spacegroup":194},{"id":245,"created_at":"2022-09-04T14:35:36.982573Z","updated_at":"2022-09-04T14:35:36.982594Z","structure_string":"Ti4 As4\n1.0\n-1.820000 -3.152332 -0.000000\n-1.820000 3.152332 0.000000\n0.000000 0.000000 -12.280000\nTi As\n4 4\ndirect\n0.666670 0.333340 0.875000 Ti\n0.333340 0.666670 0.375000 Ti\n0.333340 0.666670 0.125000 Ti\n0.666670 0.333330 0.625000 Ti\n0.000000 0.000000 0.000000 As\n0.000000 0.000000 0.500000 As\n0.666670 0.333340 0.250000 As\n0.333340 0.666670 0.750000 As\n","nsites":8,"nelements":2,"elements":["Ti","As"],"chemical_system":"As-Ti","density":5.788092132266728,"density_atomic":0.05677514942658277,"volume":140.9067185344,"volume_molar":10.60700116304822,"formula_full":"Ti4 As4","formula_reduced":"TiAs","formula_anonymous":"AB","mineral_name":null,"aflow_id":"AB_hP8_194_ad_f","pearson_symbol":"hP8","strukturbericht_symbol":"B_i","nsites_wyckoff":3,"spacegroup":194},{"id":133,"created_at":"2022-09-04T14:35:36.987798Z","updated_at":"2022-09-04T14:35:36.987824Z","structure_string":"Si3 O6\n1.0\n-2.457000 -4.255649 -0.000000\n-2.457000 4.255649 0.000000\n0.000000 0.000000 -5.406000\nSi O\n3 6\ndirect\n0.530100 0.530100 0.666670 Si\n0.000000 0.469900 0.333337 Si\n0.469900 0.000000 0.000003 Si\n0.587000 0.853800 0.786000 O\n0.266800 0.413000 0.452667 O\n0.146200 0.733200 0.119333 O\n0.853800 0.587000 0.547333 O\n0.733200 0.146200 0.214000 O\n0.413000 0.266800 0.880667 O\n","nsites":9,"nelements":2,"elements":["Si","O"],"chemical_system":"O-Si","density":2.6476121401193824,"density_atomic":0.07960961344907291,"volume":113.051673159516,"volume_molar":7.5645898768902144,"formula_full":"Si3 O6","formula_reduced":"SiO2","formula_anonymous":"AB2","mineral_name":"quartz (alpha)","aflow_id":"A2B_hP9_152_c_a","pearson_symbol":"hP9","strukturbericht_symbol":"None","nsites_wyckoff":2,"spacegroup":152},{"id":94,"created_at":"2022-09-04T14:35:36.993341Z","updated_at":"2022-09-04T14:35:36.993358Z","structure_string":"Si2 O4\n1.0\n-3.583000 -3.583000 0.000000\n-3.583000 0.000000 -3.583000\n0.000000 -3.583000 -3.583000\nO Si\n4 2\ndirect\n0.000000 0.000000 0.000000 O\n0.000000 0.000000 0.500000 O\n0.000000 0.500000 1.000000 O\n0.500000 1.000000 1.000000 O\n0.875000 0.875000 0.875000 Si\n0.125000 0.125000 0.125000 Si\n","nsites":6,"nelements":2,"elements":["O","Si"],"chemical_system":"O-Si","density":2.1690505770882824,"density_atomic":0.06522000536895127,"volume":91.99631257400002,"volume_molar":9.233579062026433,"formula_full":"Si2 O4","formula_reduced":"SiO2","formula_anonymous":"AB2","mineral_name":"high (beta) Cristobalite","aflow_id":"A2B_cF24_227_c_a","pearson_symbol":"cF24","strukturbericht_symbol":"C9","nsites_wyckoff":2,"spacegroup":227},{"id":172,"created_at":"2022-09-04T14:35:37.000358Z","updated_at":"2022-09-04T14:35:37.000378Z","structure_string":"Ga3 Pt5\n1.0\n-0.000000 -0.000000 3.948000\n4.015500 3.720000 0.000000\n-4.015500 3.720000 -0.000000\nGa Pt\n3 5\ndirect\n0.000000 0.000000 0.000000 Ga\n0.500000 0.250000 0.750000 Ga\n0.500000 0.750000 0.250000 Ga\n0.000000 0.500000 0.500000 Pt\n0.000000 0.500000 0.000000 Pt\n0.000000 0.000000 0.500000 Pt\n0.500000 0.225000 0.225000 Pt\n0.500000 0.775000 0.775000 Pt\n","nsites":8,"nelements":2,"elements":["Ga","Pt"],"chemical_system":"Ga-Pt","density":16.67735153536384,"density_atomic":0.06782663589459013,"volume":117.94776336000001,"volume_molar":8.878725416013634,"formula_full":"Ga3 Pt5","formula_reduced":"Ga3Pt5","formula_anonymous":"A3B5","mineral_name":null,"aflow_id":"A3B5_oC16_65_ah_bej","pearson_symbol":"oC16","strukturbericht_symbol":"None","nsites_wyckoff":5,"spacegroup":65},{"id":65,"created_at":"2022-09-04T14:35:37.002086Z","updated_at":"2022-09-04T14:35:37.002109Z","structure_string":"Ti2 O4\n1.0\n3.785000 -0.000000 -0.000000\n-0.000000 3.785000 0.000000\n-1.892500 -1.892500 4.757000\nO Ti\n4 2\ndirect\n0.208060 0.458060 0.416120 O\n0.791940 0.541940 0.583880 O\n0.541940 0.791940 0.083880 O\n0.458060 0.208060 0.916120 O\n0.125000 0.875000 0.250000 Ti\n0.875000 0.125000 0.750000 Ti\n","nsites":6,"nelements":2,"elements":["O","Ti"],"chemical_system":"O-Ti","density":3.8920196144463843,"density_atomic":0.08804127661768929,"volume":68.149852325,"volume_molar":6.840133391239388,"formula_full":"Ti2 O4","formula_reduced":"TiO2","formula_anonymous":"AB2","mineral_name":"Anatase","aflow_id":"A2B_tI12_141_e_a","pearson_symbol":"tI12","strukturbericht_symbol":"C5","nsites_wyckoff":2,"spacegroup":141}]}