{"count":288,"next":"https://simmate.org/third-parties/AflowPrototype/?format=json&ordering=nsites&page=10","previous":"https://simmate.org/third-parties/AflowPrototype/?format=json&ordering=nsites&page=8","results":[{"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":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":146,"created_at":"2022-09-04T14:35:36.455231Z","updated_at":"2022-09-04T14:35:36.455252Z","structure_string":"Hg2 Br4\n1.0\n-2.312000 -3.394500 -0.000000\n-2.312000 3.394500 0.000000\n0.000000 0.000000 -12.445000\nBr Hg\n4 2\ndirect\n0.667000 0.333000 0.000000 Br\n0.333000 0.667000 0.500000 Br\n0.939000 0.061000 0.866000 Br\n0.061000 0.939000 0.366000 Br\n0.605000 0.395000 0.634000 Hg\n0.395000 0.605000 0.134000 Hg\n","nsites":6,"nelements":2,"elements":["Br","Hg"],"chemical_system":"Br-Hg","density":6.127353352834621,"density_atomic":0.030715862232681492,"volume":195.33881075999997,"volume_molar":19.605963571462045,"formula_full":"Hg2 Br4","formula_reduced":"HgBr2","formula_anonymous":"AB2","mineral_name":null,"aflow_id":"A2B_oC12_36_2a_a","pearson_symbol":"oC12","strukturbericht_symbol":"C24","nsites_wyckoff":3,"spacegroup":36},{"id":274,"created_at":"2022-09-04T14:35:36.883151Z","updated_at":"2022-09-04T14:35:36.883173Z","structure_string":"Co3 Sn3\n1.0\n0.000000 0.000000 -4.259700\n-2.639500 -4.571748 -0.000000\n-2.639500 4.571748 0.000000\nCo Sn\n3 3\ndirect\n1.000000 0.500000 0.500000 Co\n1.000000 0.500000 1.000000 Co\n0.000000 1.000000 0.500000 Co\n0.000000 0.000000 0.000000 Sn\n0.500000 0.666670 0.333340 Sn\n0.500000 0.333340 0.666670 Sn\n","nsites":6,"nelements":2,"elements":["Co","Sn"],"chemical_system":"Co-Sn","density":8.608073533996192,"density_atomic":0.05836309182805474,"volume":102.8046974906124,"volume_molar":10.31840598462811,"formula_full":"Co3 Sn3","formula_reduced":"CoSn","formula_anonymous":"AB","mineral_name":null,"aflow_id":"AB_hP6_191_f_ad","pearson_symbol":"hP6","strukturbericht_symbol":"B35","nsites_wyckoff":3,"spacegroup":191},{"id":124,"created_at":"2022-09-04T14:35:36.810368Z","updated_at":"2022-09-04T14:35:36.810392Z","structure_string":"Si2 S4\n1.0\n0.000000 0.000000 -5.547000\n0.000000 -5.614000 -0.000000\n-4.791500 2.807000 2.773500\nS Si\n4 2\ndirect\n0.881800 0.673000 0.763600 S\n0.381800 0.090600 0.763600 S\n0.618200 0.909400 0.236400 S\n0.118200 0.327000 0.236400 S\n0.750000 0.000000 0.000000 Si\n0.250000 0.000000 0.000000 Si\n","nsites":6,"nelements":2,"elements":["S","Si"],"chemical_system":"S-Si","density":2.052489536792818,"density_atomic":0.04021139907043295,"volume":149.211421107,"volume_molar":14.976203015099818,"formula_full":"Si2 S4","formula_reduced":"SiS2","formula_anonymous":"AB2","mineral_name":"Silicon Disuphide","aflow_id":"A2B_oI12_72_j_a","pearson_symbol":"oI12","strukturbericht_symbol":"C42","nsites_wyckoff":2,"spacegroup":72},{"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":120,"created_at":"2022-09-04T14:35:36.688721Z","updated_at":"2022-09-04T14:35:36.688737Z","structure_string":"Be5 Au1\n1.0\n-3.050000 -3.050000 0.000000\n-3.050000 0.000000 -3.050000\n0.000000 -3.050000 -3.050000\nAu Be\n1 5\ndirect\n0.000000 0.000000 0.000000 Au\n0.750000 0.750000 0.750000 Be\n0.375000 0.375000 0.375000 Be\n0.375000 0.375000 0.875000 Be\n0.375000 0.875000 0.375000 Be\n0.875000 0.375000 0.375000 Be\n","nsites":6,"nelements":2,"elements":["Au","Be"],"chemical_system":"Au-Be","density":7.082462128023247,"density_atomic":0.10573572237323832,"volume":56.745249999999984,"volume_molar":5.6954647160231655,"formula_full":"Be5 Au1","formula_reduced":"Be5Au","formula_anonymous":"AB5","mineral_name":null,"aflow_id":"AB5_cF24_216_a_ce","pearson_symbol":"cF24","strukturbericht_symbol":"C15_b","nsites_wyckoff":3,"spacegroup":216},{"id":196,"created_at":"2022-09-04T14:35:36.761754Z","updated_at":"2022-09-04T14:35:36.761778Z","structure_string":"Zr2 Si4\n1.0\n-0.000000 -0.000000 3.670000\n3.730000 -0.000000 0.000000\n-1.865000 7.360000 0.000000\nSi Zr\n4 2\ndirect\n0.250000 0.061000 0.122000 Si\n0.750000 0.939000 0.878000 Si\n0.250000 0.750000 0.500000 Si\n0.750000 0.250000 0.500000 Si\n0.250000 0.396000 0.792000 Zr\n0.750000 0.604000 0.208000 Zr\n","nsites":6,"nelements":2,"elements":["Si","Zr"],"chemical_system":"Si-Zr","density":4.858577494882214,"density_atomic":0.059552300100397235,"volume":100.751776,"volume_molar":10.112356281533163,"formula_full":"Zr2 Si4","formula_reduced":"ZrSi2","formula_anonymous":"AB2","mineral_name":"Zirconium Disilicide","aflow_id":"A2B_oC12_63_2c_c","pearson_symbol":"oC12","strukturbericht_symbol":"C49","nsites_wyckoff":3,"spacegroup":63},{"id":166,"created_at":"2022-09-04T14:35:36.865023Z","updated_at":"2022-09-04T14:35:36.865046Z","structure_string":"C6\n1.0\n0.000000 0.000000 -2.505660\n-2.202225 -3.814366 -0.000000\n-2.202225 3.814366 0.000000\nC\n6\ndirect\n0.750000 0.552010 0.447990 C\n0.250000 0.447990 0.895980 C\n0.750000 0.895980 0.447990 C\n0.250000 0.447990 0.552010 C\n0.750000 0.552010 0.104020 C\n0.250000 0.104020 0.552010 C\n","nsites":6,"nelements":1,"elements":["C"],"chemical_system":"C","density":2.8427094974860307,"density_atomic":0.14253288101081346,"volume":42.095549865050444,"volume_molar":4.225088777615547,"formula_full":"C6","formula_reduced":"C","formula_anonymous":"A","mineral_name":"Theoretical Carbon Structure","aflow_id":"A_hP6_194_h","pearson_symbol":"hP6","strukturbericht_symbol":"None","nsites_wyckoff":1,"spacegroup":194},{"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":14,"created_at":"2022-09-04T14:35:36.680219Z","updated_at":"2022-09-04T14:35:36.680234Z","structure_string":"Ca2 Cl4\n1.0\n-0.000000 -0.000000 4.200000\n6.240000 -0.000000 0.000000\n-0.000000 6.430000 0.000000\nCa Cl\n2 4\ndirect\n0.000000 0.000000 0.000000 Ca\n0.500000 0.500000 0.500000 Ca\n0.000000 0.275000 0.325000 Cl\n0.500000 0.775000 0.175000 Cl\n0.500000 0.225000 0.825000 Cl\n0.000000 0.725000 0.675000 Cl\n","nsites":6,"nelements":2,"elements":["Ca","Cl"],"chemical_system":"Ca-Cl","density":2.187230802551171,"density_atomic":0.03560462347398584,"volume":168.51744,"volume_molar":16.913929069914243,"formula_full":"Ca2 Cl4","formula_reduced":"CaCl2","formula_anonymous":"AB2","mineral_name":"Hydrophilite","aflow_id":"AB2_oP6_58_a_g","pearson_symbol":"oP6","strukturbericht_symbol":"C35","nsites_wyckoff":2,"spacegroup":58},{"id":112,"created_at":"2022-09-04T14:35:36.460590Z","updated_at":"2022-09-04T14:35:36.460633Z","structure_string":"Ni3 S3\n1.0\n0.000000 0.000000 -3.149900\n-0.000000 -5.553532 1.049967\n-4.809500 2.776766 1.049967\nNi S\n3 3\ndirect\n0.999810 0.000000 0.263430 Ni\n0.999810 0.263430 1.000000 Ni\n0.736380 0.736570 0.736570 Ni\n0.271200 1.000000 0.662810 S\n0.271200 0.662810 0.000000 S\n0.608390 0.337190 0.337190 S\n","nsites":6,"nelements":2,"elements":["Ni","S"],"chemical_system":"Ni-S","density":5.373920149588261,"density_atomic":0.07131572082585094,"volume":84.1329223138846,"volume_molar":8.444338345405967,"formula_full":"Ni3 S3","formula_reduced":"NiS","formula_anonymous":"AB","mineral_name":"Millerite","aflow_id":"AB_hR6_160_b_b","pearson_symbol":"hR6","strukturbericht_symbol":"B13","nsites_wyckoff":2,"spacegroup":160}]}