{"count":288,"next":"https://simmate.org/third-parties/AflowPrototype/?format=json&ordering=volume&page=17","previous":"https://simmate.org/third-parties/AflowPrototype/?format=json&ordering=volume&page=15","results":[{"id":21,"created_at":"2022-09-04T14:35:36.822877Z","updated_at":"2022-09-04T14:35:36.822902Z","structure_string":"Ti8 C4\n1.0\n-4.300000 -4.300000 0.000000\n-4.300000 0.000000 -4.300000\n0.000000 -4.300000 -4.300000\nC Ti\n4 8\ndirect\n0.000000 0.000000 0.000000 C\n0.000000 1.000000 0.500000 C\n0.000000 0.500000 0.000000 C\n0.500000 1.000000 0.000000 C\n0.755000 0.755000 0.755000 Ti\n0.755000 0.755000 0.235000 Ti\n0.755000 0.235000 0.755000 Ti\n0.235000 0.755000 0.755000 Ti\n0.245000 0.245000 0.245000 Ti\n0.245000 0.245000 0.765000 Ti\n0.245000 0.765000 0.245000 Ti\n0.765000 0.245000 0.245000 Ti\n","nsites":12,"nelements":2,"elements":["C","Ti"],"chemical_system":"C-Ti","density":4.500591987349466,"density_atomic":0.07546505339152529,"volume":159.01399999999998,"volume_molar":7.980039090088665,"formula_full":"Ti8 C4","formula_reduced":"Ti2C","formula_anonymous":"AB2","mineral_name":null,"aflow_id":"AB2_cF48_227_c_e","pearson_symbol":"cF48","strukturbericht_symbol":"None","nsites_wyckoff":2,"spacegroup":227},{"id":15,"created_at":"2022-09-04T14:35:36.709357Z","updated_at":"2022-09-04T14:35:36.709388Z","structure_string":"Fe1 Cu2 Sn1 S4\n1.0\n5.460000 -0.000000 -0.000000\n-0.000000 5.460000 0.000000\n-2.730000 -2.730000 5.362500\nCu Fe S Sn\n2 1 4 1\ndirect\n0.250000 0.750000 0.500000 Cu\n0.750000 0.250000 0.500000 Cu\n0.000000 0.000000 0.000000 Fe\n0.377000 0.377000 0.264000 S\n0.113000 0.623000 0.736000 S\n0.623000 0.113000 0.736000 S\n0.887000 0.887000 0.264000 S\n0.500000 0.500000 0.000000 Sn\n","nsites":8,"nelements":4,"elements":["Cu","Fe","S","Sn"],"chemical_system":"Cu-Fe-S-Sn","density":4.46550956012965,"density_atomic":0.05004231546919628,"volume":159.864705,"volume_molar":12.034096950823447,"formula_full":"Fe1 Cu2 Sn1 S4","formula_reduced":"FeCu2SnS4","formula_anonymous":"ABC2D4","mineral_name":"Stannite","aflow_id":"A2BC4D_tI16_121_d_a_i_b","pearson_symbol":"tI16","strukturbericht_symbol":"H2_6","nsites_wyckoff":4,"spacegroup":121},{"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":188,"created_at":"2022-09-04T14:35:36.548654Z","updated_at":"2022-09-04T14:35:36.548672Z","structure_string":"I4\n1.0\n3.559530 2.329980 0.000000\n-3.559530 2.329980 -0.000000\n-0.000000 -0.000000 9.795600\nI\n4\ndirect\n0.154850 0.154850 0.117500 I\n0.845150 0.845150 0.882500 I\n0.654850 0.654850 0.382500 I\n0.345150 0.345150 0.617500 I\n","nsites":4,"nelements":1,"elements":["I"],"chemical_system":"I","density":5.187762906402078,"density_atomic":0.024618075677441776,"volume":162.4822367275973,"volume_molar":24.462272514330817,"formula_full":"I4","formula_reduced":"I","formula_anonymous":"A","mineral_name":null,"aflow_id":"A_oC8_64_f","pearson_symbol":"oC8","strukturbericht_symbol":"A14","nsites_wyckoff":1,"spacegroup":64},{"id":157,"created_at":"2022-09-04T14:35:36.669673Z","updated_at":"2022-09-04T14:35:36.669696Z","structure_string":"Ti8 O16\n1.0\n-0.000000 3.449000 0.000000\n-0.000000 -0.000000 5.138000\n9.174000 -0.000000 0.000000\nTi O\n8 16\ndirect\n0.097200 0.862800 0.128900 Ti\n0.402800 0.137200 0.628900 Ti\n0.597200 0.637200 0.871100 Ti\n0.902800 0.362800 0.371100 Ti\n0.902800 0.137200 0.871100 Ti\n0.597200 0.862800 0.371100 Ti\n0.402800 0.362800 0.128900 Ti\n0.097200 0.637200 0.628900 Ti\n0.149100 0.183500 0.009500 O\n0.350900 0.816500 0.509500 O\n0.649100 0.316500 0.990500 O\n0.850900 0.683500 0.490500 O\n0.850900 0.816500 0.990500 O\n0.649100 0.183500 0.490500 O\n0.350900 0.683500 0.009500 O\n0.149100 0.316500 0.509500 O\n0.111000 0.536600 0.231400 O\n0.389000 0.463400 0.731400 O\n0.611000 0.963400 0.768600 O\n0.889000 0.036600 0.268600 O\n0.889000 0.463400 0.768600 O\n0.611000 0.536600 0.268600 O\n0.389000 0.036600 0.231400 O\n0.111000 0.963400 0.731400 O\n","nsites":24,"nelements":2,"elements":["Ti","O"],"chemical_system":"O-Ti","density":6.526102650574465,"density_atomic":0.1476268019210356,"volume":162.57210538799998,"volume_molar":4.079300426233709,"formula_full":"Ti8 O16","formula_reduced":"TiO2","formula_anonymous":"AB2","mineral_name":"Brookite","aflow_id":"A2B_oP24_61_2c_c","pearson_symbol":"oP24","strukturbericht_symbol":"C21","nsites_wyckoff":3,"spacegroup":61},{"id":136,"created_at":"2022-09-04T14:35:37.052643Z","updated_at":"2022-09-04T14:35:37.052661Z","structure_string":"Ge4 S4\n1.0\n-0.000000 3.640000 0.000000\n-0.000000 -0.000000 4.290000\n10.420000 -0.000000 0.000000\nGe S\n4 4\ndirect\n0.250000 0.333000 0.375000 Ge\n0.250000 0.167000 0.875000 Ge\n0.750000 0.667000 0.625000 Ge\n0.750000 0.833000 0.125000 Ge\n0.250000 0.389000 0.139000 S\n0.250000 0.111000 0.639000 S\n0.750000 0.611000 0.861000 S\n0.750000 0.889000 0.361000 S\n","nsites":8,"nelements":2,"elements":["Ge","S"],"chemical_system":"Ge-S","density":4.274153499641581,"density_atomic":0.04916585456966381,"volume":162.714552,"volume_molar":12.248624198054243,"formula_full":"Ge4 S4","formula_reduced":"GeS","formula_anonymous":"AB","mineral_name":null,"aflow_id":"AB_oP8_62_c_c","pearson_symbol":"oP8","strukturbericht_symbol":"B16","nsites_wyckoff":2,"spacegroup":62},{"id":220,"created_at":"2022-09-04T14:35:36.462138Z","updated_at":"2022-09-04T14:35:36.462163Z","structure_string":"Bi2 Te3\n1.0\n-2.184570 -3.783786 -0.000000\n2.184570 -3.783786 -0.000000\n-0.000000 -2.522524 10.140977\nBi Te\n2 3\ndirect\n0.601000 0.601000 0.197000 Bi\n0.399000 0.399000 0.803000 Bi\n0.000000 0.000000 0.000000 Te\n0.792000 0.792000 0.624000 Te\n0.208000 0.208000 0.376000 Te\n","nsites":5,"nelements":2,"elements":["Bi","Te"],"chemical_system":"Bi-Te","density":7.931394969931746,"density_atomic":0.029824122852037175,"volume":167.64952400464205,"volume_molar":20.192180638059064,"formula_full":"Bi2 Te3","formula_reduced":"Bi2Te3","formula_anonymous":"A2B3","mineral_name":null,"aflow_id":"A2B3_hR5_166_c_ac","pearson_symbol":"hR5","strukturbericht_symbol":"C33","nsites_wyckoff":3,"spacegroup":166},{"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":86,"created_at":"2022-09-04T14:35:36.838561Z","updated_at":"2022-09-04T14:35:36.838583Z","structure_string":"Fe7 W6\n1.0\n-2.378500 -4.119683 -0.000000\n2.378500 -4.119683 -0.000000\n-0.000000 -2.746455 8.613333\nFe W\n7 6\ndirect\n0.000000 0.000000 0.000000 Fe\n0.910000 0.409990 0.770010 Fe\n0.910000 0.910000 0.770010 Fe\n0.409990 0.910000 0.770010 Fe\n0.090000 0.590010 0.229990 Fe\n0.090000 0.090000 0.229990 Fe\n0.590010 0.090000 0.229990 Fe\n0.833000 0.833000 0.501000 W\n0.167000 0.167000 0.499000 W\n0.654000 0.654000 0.038000 W\n0.346000 0.346000 0.962000 W\n0.552000 0.552000 0.344000 W\n0.448000 0.448000 0.656000 W\n","nsites":13,"nelements":2,"elements":["Fe","W"],"chemical_system":"Fe-W","density":14.69665248399151,"density_atomic":0.07701497232981039,"volume":168.79834669456935,"volume_molar":7.819441568076749,"formula_full":"Fe7 W6","formula_reduced":"Fe7W6","formula_anonymous":"A6B7","mineral_name":"Frank-Kasper $\\mu$ Phase","aflow_id":"A7B6_hR13_166_ah_3c","pearson_symbol":"hR13","strukturbericht_symbol":"D8_5","nsites_wyckoff":5,"spacegroup":166},{"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":100,"created_at":"2022-09-04T14:35:37.079736Z","updated_at":"2022-09-04T14:35:37.079754Z","structure_string":"K2 Cl2 O6\n1.0\n-4.344944 0.000000 1.599489\n0.000000 -5.568000 -0.000000\n4.344944 0.000000 5.447511\nK Cl O\n2 2 6\ndirect\n0.355500 0.750000 0.708600 K\n0.644500 0.250000 0.291400 K\n0.053500 0.750000 0.174500 Cl\n0.946500 0.250000 0.825500 Cl\n0.715600 0.750000 0.116500 O\n0.284400 0.250000 0.883500 O\n0.839900 0.463900 0.694300 O\n0.160100 0.963900 0.305700 O\n0.160100 0.536100 0.305700 O\n0.839900 0.036100 0.694300 O\n","nsites":10,"nelements":3,"elements":["K","Cl","O"],"chemical_system":"Cl-K-O","density":2.3872777773532095,"density_atomic":0.05865598314725555,"volume":170.485591809024,"volume_molar":10.266882314258455,"formula_full":"K2 Cl2 O6","formula_reduced":"KClO3","formula_anonymous":"ABC3","mineral_name":"Potassium chlorate","aflow_id":"ABC3_mP10_11_e_e_ef","pearson_symbol":"mP10","strukturbericht_symbol":"G0_6","nsites_wyckoff":4,"spacegroup":11},{"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}]}