{"count":288,"next":"https://simmate.org/third-parties/AflowPrototype/?format=json&ordering=id&page=23","previous":"https://simmate.org/third-parties/AflowPrototype/?format=json&ordering=id&page=21","results":[{"id":253,"created_at":"2022-09-04T14:35:36.471443Z","updated_at":"2022-09-04T14:35:36.471464Z","structure_string":"V2 Ir2\n1.0\n0.000000 0.000000 -2.796000\n-2.985500 -3.378000 -0.000000\n-2.985500 3.378000 0.000000\nIr V\n2 2\ndirect\n0.500000 0.780000 0.220000 Ir\n0.500000 0.220000 0.780000 Ir\n1.000000 0.720000 0.720000 V\n1.000000 0.280000 0.280000 V\n","nsites":4,"nelements":2,"elements":["Ir","V"],"chemical_system":"Ir-V","density":14.31939486901832,"density_atomic":0.07092773769294555,"volume":56.39542624799999,"volume_molar":8.490529877141366,"formula_full":"V2 Ir2","formula_reduced":"VIr","formula_anonymous":"AB","mineral_name":"alpha iridium vanadium","aflow_id":"AB_oC8_65_j_g","pearson_symbol":"oC8","strukturbericht_symbol":"None","nsites_wyckoff":2,"spacegroup":65},{"id":254,"created_at":"2022-09-04T14:35:36.474088Z","updated_at":"2022-09-04T14:35:36.474103Z","structure_string":"Pt3 O4\n1.0\n-3.113000 -3.113000 3.113000\n-3.113000 3.113000 -3.113000\n3.113000 -3.113000 -3.113000\nO Pt\n4 3\ndirect\n0.500000 0.500000 0.500000 O\n1.000000 1.000000 0.500000 O\n0.000000 0.500000 1.000000 O\n0.500000 0.000000 0.000000 O\n0.500000 0.500000 0.000000 Pt\n0.000000 0.500000 0.500000 Pt\n0.500000 0.000000 0.500000 Pt\n","nsites":7,"nelements":2,"elements":["O","Pt"],"chemical_system":"O-Pt","density":8.934359731060523,"density_atomic":0.05800970896810872,"volume":120.66945558799999,"volume_molar":10.38126352833578,"formula_full":"Pt3 O4","formula_reduced":"Pt3O4","formula_anonymous":"A3B4","mineral_name":null,"aflow_id":"A4B3_cI14_229_c_b","pearson_symbol":"cI14","strukturbericht_symbol":"None","nsites_wyckoff":2,"spacegroup":229},{"id":255,"created_at":"2022-09-04T14:35:36.463991Z","updated_at":"2022-09-04T14:35:36.464009Z","structure_string":"Si3 O6\n1.0\n-2.498850 -4.328135 -0.000000\n-2.498850 4.328135 0.000000\n0.000000 0.000000 -5.460100\nSi O\n3 6\ndirect\n0.500000 0.500000 0.000000 Si\n0.500000 1.000000 0.666667 Si\n1.000000 0.500000 0.333333 Si\n0.792800 0.207200 0.500000 O\n0.207200 0.414400 0.166667 O\n0.414400 0.207200 0.833333 O\n0.207200 0.792800 0.500000 O\n0.792800 0.585600 0.166667 O\n0.585600 0.792800 0.833333 O\n","nsites":9,"nelements":2,"elements":["Si","O"],"chemical_system":"O-Si","density":2.534310248924827,"density_atomic":0.0762028003345807,"volume":118.10589585269894,"volume_molar":7.90278143789837,"formula_full":"Si3 O6","formula_reduced":"SiO2","formula_anonymous":"AB2","mineral_name":"quartz (beta)","aflow_id":"A2B_hP9_180_j_c","pearson_symbol":"hP9","strukturbericht_symbol":"C8","nsites_wyckoff":2,"spacegroup":180},{"id":256,"created_at":"2022-09-04T14:35:36.462798Z","updated_at":"2022-09-04T14:35:36.462821Z","structure_string":"Re1 O3\n1.0\n3.734000 0.000000 0.000000\n-0.000000 3.734000 0.000000\n0.000000 0.000000 3.734000\nRe O\n1 3\ndirect\n0.000000 0.000000 0.000000 Re\n0.500000 0.000000 0.000000 O\n0.000000 0.000000 0.500000 O\n0.000000 0.500000 0.000000 O\n","nsites":4,"nelements":2,"elements":["Re","O"],"chemical_system":"O-Re","density":7.470035917540134,"density_atomic":0.07683109989569575,"volume":52.062250903999995,"volume_molar":7.83815508065813,"formula_full":"Re1 O3","formula_reduced":"ReO3","formula_anonymous":"AB3","mineral_name":"alpha Rhenium trioxide","aflow_id":"A3B_cP4_221_d_a","pearson_symbol":"cP4","strukturbericht_symbol":"D0_9","nsites_wyckoff":2,"spacegroup":221},{"id":257,"created_at":"2022-09-04T14:35:36.537520Z","updated_at":"2022-09-04T14:35:36.537547Z","structure_string":"Cd2 Au2\n1.0\n0.000000 -3.147600 -0.000000\n-4.754900 0.000000 -0.000000\n0.000000 0.000000 -4.854600\nCd Au\n2 2\ndirect\n0.500000 0.750000 0.687500 Cd\n0.500000 0.250000 0.312500 Cd\n0.000000 0.750000 0.187500 Au\n0.000000 0.250000 0.812500 Au\n","nsites":4,"nelements":2,"elements":["Cd","Au"],"chemical_system":"Au-Cd","density":14.141436891651578,"density_atomic":0.055053586344272265,"volume":72.65648372090399,"volume_molar":10.93868930234831,"formula_full":"Cd2 Au2","formula_reduced":"CdAu","formula_anonymous":"AB","mineral_name":"beta-prime cadmium gold","aflow_id":"AB_oP4_51_e_f","pearson_symbol":"oP4","strukturbericht_symbol":"B19","nsites_wyckoff":2,"spacegroup":51},{"id":258,"created_at":"2022-09-04T14:35:36.555362Z","updated_at":"2022-09-04T14:35:36.555392Z","structure_string":"Ti2 Si4\n1.0\n4.133550 2.400000 -0.000000\n-4.133550 2.400000 -0.000000\n0.000000 -2.400000 4.275250\nSi Ti\n4 2\ndirect\n0.711500 0.788500 0.250000 Si\n0.038500 0.461500 0.250000 Si\n0.288500 0.211500 0.750000 Si\n0.961500 0.538500 0.750000 Si\n0.375000 0.125000 0.250000 Ti\n0.625000 0.875000 0.750000 Ti\n","nsites":6,"nelements":2,"elements":["Si","Ti"],"chemical_system":"Si-Ti","density":4.073288205220105,"density_atomic":0.07073352506688013,"volume":84.82540625999998,"volume_molar":8.513842275365084,"formula_full":"Ti2 Si4","formula_reduced":"TiSi2","formula_anonymous":"AB2","mineral_name":"Titanium Disilicide","aflow_id":"A2B_oF24_70_e_a","pearson_symbol":"oF24","strukturbericht_symbol":"C54","nsites_wyckoff":2,"spacegroup":70},{"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":260,"created_at":"2022-09-04T14:35:36.566681Z","updated_at":"2022-09-04T14:35:36.566697Z","structure_string":"Si12 O24\n1.0\n7.464000 0.000000 0.000000\n-0.000000 7.464000 0.000000\n0.000000 0.000000 8.620000\nSi O\n12 24\ndirect\n0.410000 0.410000 0.000000 Si\n0.910000 0.090000 0.250000 Si\n0.090000 0.910000 0.750000 Si\n0.590000 0.590000 0.500000 Si\n0.326000 0.120000 0.248000 Si\n0.826000 0.380000 0.002000 Si\n0.174000 0.620000 0.502000 Si\n0.674000 0.880000 0.748000 Si\n0.880000 0.674000 0.252000 Si\n0.380000 0.826000 0.998000 Si\n0.620000 0.174000 0.498000 Si\n0.120000 0.326000 0.752000 Si\n0.445000 0.132000 0.400000 O\n0.945000 0.368000 0.850000 O\n0.055000 0.632000 0.350000 O\n0.555000 0.868000 0.900000 O\n0.868000 0.555000 0.100000 O\n0.368000 0.945000 0.150000 O\n0.632000 0.055000 0.650000 O\n0.132000 0.445000 0.600000 O\n0.117000 0.123000 0.296000 O\n0.617000 0.377000 0.954000 O\n0.383000 0.623000 0.454000 O\n0.883000 0.877000 0.796000 O\n0.877000 0.883000 0.204000 O\n0.377000 0.617000 0.046000 O\n0.623000 0.383000 0.546000 O\n0.123000 0.117000 0.704000 O\n0.344000 0.297000 0.143000 O\n0.844000 0.203000 0.107000 O\n0.156000 0.797000 0.607000 O\n0.656000 0.703000 0.643000 O\n0.703000 0.656000 0.357000 O\n0.203000 0.844000 0.893000 O\n0.797000 0.156000 0.393000 O\n0.297000 0.344000 0.857000 O\n","nsites":36,"nelements":2,"elements":["Si","O"],"chemical_system":"O-Si","density":2.493106448839964,"density_atomic":0.07496386561763953,"volume":480.23137152,"volume_molar":8.033391435170264,"formula_full":"Si12 O24","formula_reduced":"SiO2","formula_anonymous":"AB2","mineral_name":"Keatite","aflow_id":"A2B_tP36_96_3b_ab","pearson_symbol":"tP36","strukturbericht_symbol":"None","nsites_wyckoff":5,"spacegroup":96},{"id":261,"created_at":"2022-09-04T14:35:36.613485Z","updated_at":"2022-09-04T14:35:36.613510Z","structure_string":"B4 Mo4\n1.0\n3.108000 -0.000000 -0.000000\n-0.000000 3.108000 0.000000\n-1.554000 -1.554000 8.470000\nB Mo\n4 4\ndirect\n0.227000 0.477000 0.454000 B\n0.773000 0.523000 0.546000 B\n0.523000 0.773000 0.046000 B\n0.477000 0.227000 0.954000 B\n0.071000 0.321000 0.142000 Mo\n0.929000 0.679000 0.858000 Mo\n0.679000 0.929000 0.358000 Mo\n0.321000 0.071000 0.642000 Mo\n","nsites":8,"nelements":2,"elements":["B","Mo"],"chemical_system":"B-Mo","density":8.666337741760254,"density_atomic":0.0977787669860076,"volume":81.81735408000002,"volume_molar":6.158945286006506,"formula_full":"B4 Mo4","formula_reduced":"BMo","formula_anonymous":"AB","mineral_name":"delta Molybdenum Boride","aflow_id":"AB_tI16_141_e_e","pearson_symbol":"tI16","strukturbericht_symbol":"B_g","nsites_wyckoff":2,"spacegroup":141},{"id":262,"created_at":"2022-09-04T14:35:36.627790Z","updated_at":"2022-09-04T14:35:36.627813Z","structure_string":"Cu6 S6\n1.0\n-1.988000 -3.443317 -0.000000\n-1.988000 3.443317 0.000000\n0.000000 0.000000 -16.382000\nCu S\n6 6\ndirect\n0.666670 0.333340 0.250000 Cu\n0.333340 0.666670 0.750000 Cu\n0.666670 0.333340 0.892760 Cu\n0.333340 0.666670 0.392760 Cu\n0.333340 0.666670 0.107240 Cu\n0.666670 0.333330 0.607240 Cu\n0.666670 0.333340 0.750000 S\n0.333340 0.666670 0.250000 S\n0.000000 0.000000 0.936300 S\n0.000000 0.000000 0.436300 S\n0.000000 0.000000 0.063700 S\n0.000000 0.000000 0.563700 S\n","nsites":12,"nelements":2,"elements":["Cu","S"],"chemical_system":"Cu-S","density":4.2473485731964775,"density_atomic":0.05350457786952048,"volume":224.279874317744,"volume_molar":11.255374773138026,"formula_full":"Cu6 S6","formula_reduced":"CuS","formula_anonymous":"AB","mineral_name":"Covellite","aflow_id":"AB_hP12_194_df_ce","pearson_symbol":"hP12","strukturbericht_symbol":"B18","nsites_wyckoff":4,"spacegroup":194},{"id":263,"created_at":"2022-09-04T14:35:36.642622Z","updated_at":"2022-09-04T14:35:36.642646Z","structure_string":"Al2 Cr4 C2\n1.0\n-1.430000 -2.476833 -0.000000\n-1.430000 2.476833 0.000000\n0.000000 0.000000 -12.820000\nAl Cr C\n2 4 2\ndirect\n0.666670 0.333340 0.250000 Al\n0.333340 0.666670 0.750000 Al\n0.666670 0.333340 0.914000 Cr\n0.333340 0.666670 0.414000 Cr\n0.333340 0.666670 0.086000 Cr\n0.666670 0.333330 0.586000 Cr\n0.000000 0.000000 0.000000 C\n0.000000 0.000000 0.500000 C\n","nsites":8,"nelements":3,"elements":["Al","Cr","C"],"chemical_system":"Al-C-Cr","density":5.228981243553344,"density_atomic":0.08809255440461683,"volume":90.8135773116,"volume_molar":6.83615181861997,"formula_full":"Al2 Cr4 C2","formula_reduced":"AlCr2C","formula_anonymous":"ABC2","mineral_name":"H-Phase","aflow_id":"ABC2_hP8_194_d_a_f","pearson_symbol":"hP8","strukturbericht_symbol":"None","nsites_wyckoff":3,"spacegroup":194},{"id":264,"created_at":"2022-09-04T14:35:36.652918Z","updated_at":"2022-09-04T14:35:36.652939Z","structure_string":"H12 N4\n1.0\n5.130500 0.000000 0.000000\n-0.000000 5.130500 0.000000\n0.000000 0.000000 5.130500\nH N\n12 4\ndirect\n0.368900 0.267100 0.115900 H\n0.868900 0.232900 0.884100 H\n0.631100 0.767100 0.384100 H\n0.131100 0.732900 0.615900 H\n0.267100 0.115900 0.368900 H\n0.767100 0.384100 0.631100 H\n0.732900 0.615900 0.131100 H\n0.232900 0.884100 0.868900 H\n0.115900 0.368900 0.267100 H\n0.615900 0.131100 0.732900 H\n0.884100 0.868900 0.232900 H\n0.384100 0.631100 0.767100 H\n0.210700 0.210700 0.210700 N\n0.710700 0.289300 0.789300 N\n0.789300 0.710700 0.289300 N\n0.289300 0.789300 0.710700 N\n","nsites":16,"nelements":2,"elements":["H","N"],"chemical_system":"H-N","density":0.8376409903935533,"density_atomic":0.11847887092676021,"volume":135.04517619762498,"volume_molar":5.082881625131871,"formula_full":"H12 N4","formula_reduced":"H3N","formula_anonymous":"AB3","mineral_name":"Ammonia","aflow_id":"A3B_cP16_198_b_a","pearson_symbol":"cP16","strukturbericht_symbol":"D1","nsites_wyckoff":2,"spacegroup":198}]}