{"count":288,"next":"https://simmate.org/third-parties/AflowPrototype/?format=json&ordering=spacegroup&page=11","previous":"https://simmate.org/third-parties/AflowPrototype/?format=json&ordering=spacegroup&page=9","results":[{"id":222,"created_at":"2022-09-04T14:35:36.537521Z","updated_at":"2022-09-04T14:35:36.537549Z","structure_string":"Pt2 S2\n1.0\n4.907300 0.000000 0.000000\n-0.000000 4.907300 0.000000\n0.000000 0.000000 6.109600\nPt S\n2 2\ndirect\n0.000000 0.500000 0.000000 Pt\n0.500000 0.000000 0.500000 Pt\n0.000000 0.000000 0.250000 S\n0.000000 0.000000 0.750000 S\n","nsites":4,"nelements":2,"elements":["Pt","S"],"chemical_system":"Pt-S","density":5.127337761338703,"density_atomic":0.027187044392460964,"volume":147.128902364584,"volume_molar":22.150773997595543,"formula_full":"Pt2 S2","formula_reduced":"PtS","formula_anonymous":"AB","mineral_name":null,"aflow_id":"AB_tP4_131_c_e","pearson_symbol":"tP4","strukturbericht_symbol":"B17","nsites_wyckoff":2,"spacegroup":131},{"id":141,"created_at":"2022-09-04T14:35:37.147674Z","updated_at":"2022-09-04T14:35:37.147689Z","structure_string":"B50\n1.0\n-0.000000 -0.000000 5.030000\n8.740000 -0.000000 0.000000\n-0.000000 8.740000 0.000000\nB\n50\ndirect\n0.250000 0.750000 0.250000 B\n0.750000 0.250000 0.750000 B\n0.168500 0.004800 0.995200 B\n0.331500 0.004800 0.504800 B\n0.331500 0.495200 0.995200 B\n0.168500 0.495200 0.504800 B\n0.831500 0.504800 0.495200 B\n0.668500 0.504800 0.004800 B\n0.668500 0.995200 0.495200 B\n0.831500 0.995200 0.004800 B\n0.628000 0.130500 0.869500 B\n0.872000 0.130500 0.630500 B\n0.872000 0.369500 0.869500 B\n0.628000 0.369500 0.630500 B\n0.372000 0.630500 0.369500 B\n0.128000 0.630500 0.130500 B\n0.128000 0.869500 0.369500 B\n0.372000 0.869500 0.130500 B\n0.163500 0.169500 0.522800 B\n0.336500 0.169500 0.977200 B\n0.336500 0.330500 0.522800 B\n0.163500 0.330500 0.977200 B\n0.836500 0.977200 0.330500 B\n0.663500 0.977200 0.169500 B\n0.663500 0.522800 0.330500 B\n0.836500 0.522800 0.169500 B\n0.836500 0.830500 0.477200 B\n0.663500 0.830500 0.022800 B\n0.663500 0.669500 0.477200 B\n0.836500 0.669500 0.022800 B\n0.163500 0.022800 0.669500 B\n0.336500 0.022800 0.830500 B\n0.336500 0.477200 0.669500 B\n0.163500 0.477200 0.830500 B\n0.148500 0.075300 0.338300 B\n0.351500 0.075300 0.161700 B\n0.351500 0.424700 0.338300 B\n0.148500 0.424700 0.161700 B\n0.851500 0.161700 0.424700 B\n0.648500 0.161700 0.075300 B\n0.648500 0.338300 0.424700 B\n0.851500 0.338300 0.075300 B\n0.851500 0.924700 0.661700 B\n0.648500 0.924700 0.838300 B\n0.648500 0.575300 0.661700 B\n0.851500 0.575300 0.838300 B\n0.148500 0.838300 0.575300 B\n0.351500 0.838300 0.924700 B\n0.351500 0.661700 0.575300 B\n0.148500 0.661700 0.924700 B\n","nsites":50,"nelements":1,"elements":["B"],"chemical_system":"B","density":2.3361144665570395,"density_atomic":0.13013051663990888,"volume":384.22962800000005,"volume_molar":4.627769807956875,"formula_full":"B50","formula_reduced":"B","formula_anonymous":"A","mineral_name":"T-50 Boron","aflow_id":"A_tP50_134_b2m2n","pearson_symbol":"tP50","strukturbericht_symbol":"A_g","nsites_wyckoff":5,"spacegroup":134},{"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":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":272,"created_at":"2022-09-04T14:35:36.805133Z","updated_at":"2022-09-04T14:35:36.805155Z","structure_string":"N4\n1.0\n3.957000 0.000000 0.000000\n-0.000000 3.957000 0.000000\n0.000000 0.000000 5.109000\nN\n4\ndirect\n0.098000 0.098000 0.000000 N\n0.598000 0.402000 0.500000 N\n0.402000 0.598000 0.500000 N\n0.902000 0.902000 0.000000 N\n","nsites":4,"nelements":1,"elements":["N"],"chemical_system":"N","density":1.162992495837676,"density_atomic":0.050002531039991784,"volume":79.995950541,"volume_molar":12.043671859697502,"formula_full":"N4","formula_reduced":"N","formula_anonymous":"A","mineral_name":"gamma nitrogen","aflow_id":"A_tP4_136_f","pearson_symbol":"tP4","strukturbericht_symbol":"None","nsites_wyckoff":1,"spacegroup":136},{"id":22,"created_at":"2022-09-04T14:35:36.836063Z","updated_at":"2022-09-04T14:35:36.836074Z","structure_string":"U30\n1.0\n-0.000000 -0.000000 5.634000\n10.590000 -0.000000 0.000000\n-0.000000 10.590000 0.000000\nU\n30\ndirect\n0.500000 0.000000 0.000000 U\n1.000000 0.500000 0.500000 U\n1.000000 0.103300 0.103300 U\n0.500000 0.603300 0.396700 U\n0.500000 0.396700 0.603300 U\n1.000000 0.896700 0.896700 U\n1.000000 0.366700 0.038300 U\n0.500000 0.866700 0.461700 U\n0.500000 0.133300 0.538300 U\n0.000000 0.633300 0.961700 U\n1.000000 0.961700 0.633300 U\n0.500000 0.461700 0.866700 U\n0.500000 0.538300 0.133300 U\n1.000000 0.038300 0.366700 U\n1.000000 0.560800 0.235400 U\n0.500000 0.060800 0.264600 U\n0.500000 0.939200 0.735400 U\n1.000000 0.439200 0.764600 U\n1.000000 0.764600 0.439200 U\n0.500000 0.264600 0.060800 U\n0.500000 0.735400 0.939200 U\n1.000000 0.235400 0.560800 U\n0.270000 0.318300 0.318300 U\n0.230000 0.818300 0.181700 U\n0.230000 0.181700 0.818300 U\n0.270000 0.681700 0.681700 U\n0.730000 0.681700 0.681700 U\n0.770000 0.181700 0.818300 U\n0.770000 0.818300 0.181700 U\n0.730000 0.318300 0.318300 U\n","nsites":30,"nelements":1,"elements":["U"],"chemical_system":"U","density":18.766846301204147,"density_atomic":0.047480194773900725,"volume":631.8423954000001,"volume_molar":12.683479477447925,"formula_full":"U30","formula_reduced":"U","formula_anonymous":"A","mineral_name":"beta Uranium","aflow_id":"A_tP30_136_bf2ij","pearson_symbol":"tP30","strukturbericht_symbol":"A_b","nsites_wyckoff":5,"spacegroup":136},{"id":210,"created_at":"2022-09-04T14:35:37.127324Z","updated_at":"2022-09-04T14:35:37.127345Z","structure_string":"Cr8 Fe8 Ni8 Pd2 Rh4\n1.0\n-0.000000 -0.000000 4.558200\n8.796600 -0.000000 0.000000\n-0.000000 8.796600 0.000000\nCr Fe Ni Pd Rh\n8 8 8 2 4\ndirect\n1.000000 0.066090 0.739330 Cr\n0.500000 0.566090 0.760670 Cr\n0.500000 0.433910 0.239330 Cr\n1.000000 0.933910 0.260670 Cr\n1.000000 0.260670 0.933910 Cr\n0.500000 0.760670 0.566090 Cr\n0.500000 0.239330 0.433910 Cr\n1.000000 0.739330 0.066090 Cr\n0.252020 0.182670 0.182670 Fe\n0.247980 0.682670 0.317330 Fe\n0.247980 0.317330 0.682670 Fe\n0.252020 0.817330 0.817330 Fe\n0.747980 0.817330 0.817330 Fe\n0.752020 0.317330 0.682670 Fe\n0.752020 0.682670 0.317330 Fe\n0.747980 0.182670 0.182670 Fe\n1.000000 0.131220 0.463490 Ni\n0.500000 0.631220 0.036510 Ni\n0.500000 0.368780 0.963490 Ni\n0.000000 0.868780 0.536510 Ni\n1.000000 0.536510 0.868780 Ni\n0.500000 0.036510 0.631220 Ni\n0.500000 0.963490 0.368780 Ni\n1.000000 0.463490 0.131220 Ni\n0.500000 0.000000 0.000000 Pd\n1.000000 0.500000 0.500000 Pd\n1.000000 0.398640 0.398640 Rh\n0.500000 0.898640 0.101360 Rh\n0.500000 0.101360 0.898640 Rh\n1.000000 0.601360 0.601360 Rh\n","nsites":30,"nelements":5,"elements":["Cr","Fe","Ni","Pd","Rh"],"chemical_system":"Cr-Fe-Ni-Pd-Rh","density":9.212101438702115,"density_atomic":0.08505467504351757,"volume":352.71429800479194,"volume_molar":7.080317168831481,"formula_full":"Cr8 Fe8 Ni8 Pd2 Rh4","formula_reduced":"Cr4Fe4Ni4PdRh2","formula_anonymous":"AB2C4D4E4","mineral_name":"sigma phase CrFe, different elements used to distinguish Wyckoff positions","aflow_id":"sigma_tP30_136_bf2ij","pearson_symbol":"tP30","strukturbericht_symbol":"D8_b","nsites_wyckoff":5,"spacegroup":136},{"id":12,"created_at":"2022-09-04T14:35:36.653650Z","updated_at":"2022-09-04T14:35:36.653674Z","structure_string":"Cl16\n1.0\n-0.000000 -0.000000 6.120000\n8.560000 -0.000000 0.000000\n-0.000000 8.560000 0.000000\nCl\n16\ndirect\n0.857000 0.375000 0.917000 Cl\n0.643000 0.875000 0.083000 Cl\n0.643000 0.625000 0.417000 Cl\n0.857000 0.125000 0.583000 Cl\n0.143000 0.083000 0.625000 Cl\n0.357000 0.583000 0.375000 Cl\n0.357000 0.917000 0.125000 Cl\n0.143000 0.417000 0.875000 Cl\n0.143000 0.625000 0.083000 Cl\n0.357000 0.125000 0.917000 Cl\n0.357000 0.375000 0.583000 Cl\n0.143000 0.875000 0.417000 Cl\n0.857000 0.917000 0.375000 Cl\n0.643000 0.417000 0.625000 Cl\n0.643000 0.083000 0.875000 Cl\n0.857000 0.583000 0.125000 Cl\n","nsites":16,"nelements":1,"elements":["Cl"],"chemical_system":"Cl","density":2.1005020962590057,"density_atomic":0.03567968661246779,"volume":448.4344320000001,"volume_molar":16.878345444591552,"formula_full":"Cl16","formula_reduced":"Cl","formula_anonymous":"A","mineral_name":null,"aflow_id":"A_tP16_138_j","pearson_symbol":"tP16","strukturbericht_symbol":"A18","nsites_wyckoff":1,"spacegroup":138},{"id":2,"created_at":"2022-09-04T14:35:36.452531Z","updated_at":"2022-09-04T14:35:36.452554Z","structure_string":"Si2 Mo1\n1.0\n3.206400 -0.000000 -0.000000\n-0.000000 3.206400 0.000000\n-1.603200 -1.603200 3.923900\nMo Si\n1 2\ndirect\n0.000000 0.000000 0.000000 Mo\n0.335300 0.335300 0.670600 Si\n0.664700 0.664700 0.329400 Si\n","nsites":3,"nelements":2,"elements":["Mo","Si"],"chemical_system":"Mo-Si","density":6.2611828688316695,"density_atomic":0.07436488729921285,"volume":40.341619666944005,"volume_molar":8.098097070690704,"formula_full":"Si2 Mo1","formula_reduced":"Si2Mo","formula_anonymous":"AB2","mineral_name":null,"aflow_id":"AB2_tI6_139_a_e","pearson_symbol":"tI6","strukturbericht_symbol":"C11_b","nsites_wyckoff":2,"spacegroup":139},{"id":38,"created_at":"2022-09-04T14:35:36.461968Z","updated_at":"2022-09-04T14:35:36.461984Z","structure_string":"Pa1\n1.0\n-1.966000 1.966000 -1.619000\n1.966000 -1.966000 -1.619000\n-1.966000 -1.966000 1.619000\nPa\n1\ndirect\n0.000000 0.000000 0.000000 Pa\n","nsites":1,"nelements":1,"elements":["Pa"],"chemical_system":"Pa","density":15.3269119224402,"density_atomic":0.03995086003306252,"volume":25.030750256,"volume_molar":15.073870137003803,"formula_full":"Pa1","formula_reduced":"Pa","formula_anonymous":"A","mineral_name":"Protactinium","aflow_id":"A_tI2_139_a","pearson_symbol":"tI2","strukturbericht_symbol":"A_a","nsites_wyckoff":1,"spacegroup":139},{"id":109,"created_at":"2022-09-04T14:35:36.468186Z","updated_at":"2022-09-04T14:35:36.468201Z","structure_string":"V4 Zn5\n1.0\n0.000000 0.000000 3.220000\n-4.455000 4.455000 1.610000\n-4.455000 -4.455000 1.610000\nV Zn\n4 5\ndirect\n0.348000 0.652000 0.652000 V\n0.652000 0.348000 0.348000 V\n0.000000 0.652000 0.348000 V\n0.000000 0.348000 0.652000 V\n0.000000 0.000000 0.000000 Zn\n0.328000 1.000000 0.344000 Zn\n0.328000 0.344000 1.000000 Zn\n0.672000 0.656000 1.000000 Zn\n0.672000 1.000000 0.656000 Zn\n","nsites":9,"nelements":2,"elements":["V","Zn"],"chemical_system":"V-Zn","density":6.896166326107721,"density_atomic":0.07041435821995037,"volume":127.814841,"volume_molar":8.552432930211323,"formula_full":"V4 Zn5","formula_reduced":"V4Zn5","formula_anonymous":"A4B5","mineral_name":null,"aflow_id":"A4B5_tI18_139_i_ah","pearson_symbol":"tI18","strukturbericht_symbol":"None","nsites_wyckoff":3,"spacegroup":139},{"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}]}