{"count":288,"next":"https://simmate.org/third-parties/AflowPrototype/?format=json&ordering=volume&page=12","previous":"https://simmate.org/third-parties/AflowPrototype/?format=json&ordering=volume&page=10","results":[{"id":61,"created_at":"2022-09-04T14:35:36.902660Z","updated_at":"2022-09-04T14:35:36.902692Z","structure_string":"Sm3\n1.0\n-1.810180 -3.135324 -0.000000\n1.810180 -3.135324 -0.000000\n-0.000000 -2.090216 8.749800\nSm\n3\ndirect\n0.000000 0.000000 0.000000 Sm\n0.777780 0.777780 0.666660 Sm\n0.222220 0.222220 0.333340 Sm\n","nsites":3,"nelements":1,"elements":["Sm"],"chemical_system":"Sm","density":7.541719199193728,"density_atomic":0.03020570271723487,"volume":99.31899377028067,"volume_molar":19.937098687539777,"formula_full":"Sm3","formula_reduced":"Sm","formula_anonymous":"A","mineral_name":"alpha Samarium","aflow_id":"A_hR3_166_ac","pearson_symbol":"hR3","strukturbericht_symbol":"C19","nsites_wyckoff":2,"spacegroup":166},{"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":213,"created_at":"2022-09-04T14:35:37.173154Z","updated_at":"2022-09-04T14:35:37.173170Z","structure_string":"Ti2 Cu6\n1.0\n-0.000000 4.347000 0.000000\n-0.000000 -0.000000 4.531000\n5.162000 -0.000000 0.000000\nTi Cu\n2 6\ndirect\n0.250000 0.671250 0.250000 Ti\n0.750000 0.328750 0.750000 Ti\n0.750000 0.329000 0.250000 Cu\n0.250000 0.671000 0.750000 Cu\n0.250000 0.174000 0.505000 Cu\n0.750000 0.826000 0.005000 Cu\n0.750000 0.826000 0.495000 Cu\n0.250000 0.174000 0.995000 Cu\n","nsites":8,"nelements":2,"elements":["Ti","Cu"],"chemical_system":"Cu-Ti","density":7.790671252136505,"density_atomic":0.07868433602895508,"volume":101.67207863399999,"volume_molar":7.653544611196705,"formula_full":"Ti2 Cu6","formula_reduced":"TiCu3","formula_anonymous":"AB3","mineral_name":"beta Cu3Ti","aflow_id":"A3B_oP8_59_bf_a","pearson_symbol":"oP8","strukturbericht_symbol":"D0_a","nsites_wyckoff":3,"spacegroup":59},{"id":180,"created_at":"2022-09-04T14:35:37.141239Z","updated_at":"2022-09-04T14:35:37.141258Z","structure_string":"Fe6 P3\n1.0\n0.000000 0.000000 -3.450000\n-2.925000 -5.066249 -0.000000\n-2.925000 5.066249 0.000000\nFe P\n6 3\ndirect\n1.000000 0.740000 0.740000 Fe\n0.000000 1.000000 0.260000 Fe\n1.000000 0.260000 0.000000 Fe\n0.500000 0.400000 0.400000 Fe\n0.500000 1.000000 0.600000 Fe\n0.500000 0.600000 0.000000 Fe\n0.500000 0.000000 0.000000 P\n0.125000 0.666670 0.333340 P\n0.875000 0.333340 0.666670 P\n","nsites":9,"nelements":2,"elements":["Fe","P"],"chemical_system":"Fe-P","density":6.950603777519372,"density_atomic":0.08801992967844442,"volume":102.2495704425,"volume_molar":6.841792287269672,"formula_full":"Fe6 P3","formula_reduced":"Fe2P","formula_anonymous":"AB2","mineral_name":null,"aflow_id":"A2B_hP9_150_ef_bd","pearson_symbol":"hP9","strukturbericht_symbol":"C22","nsites_wyckoff":4,"spacegroup":150},{"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":52,"created_at":"2022-09-04T14:35:36.734925Z","updated_at":"2022-09-04T14:35:36.734946Z","structure_string":"Fe6 P3\n1.0\n0.000000 0.000000 -3.437000\n-2.938500 -5.089631 -0.000000\n-2.938500 5.089631 0.000000\nFe P\n6 3\ndirect\n1.000000 0.744000 0.744000 Fe\n0.000000 0.000000 0.256000 Fe\n1.000000 0.256000 0.000000 Fe\n0.500000 0.411000 0.411000 Fe\n0.500000 0.000000 0.589000 Fe\n0.500000 0.589000 0.000000 Fe\n0.500000 0.000000 0.000000 P\n1.000000 0.666670 0.333340 P\n1.000000 0.333340 0.666670 P\n","nsites":9,"nelements":2,"elements":["Fe","P"],"chemical_system":"Fe-P","density":6.912935493866264,"density_atomic":0.0875429121725728,"volume":102.80672388711899,"volume_molar":6.8790729146965,"formula_full":"Fe6 P3","formula_reduced":"Fe2P","formula_anonymous":"AB2","mineral_name":null,"aflow_id":"A2B_hP9_189_fg_bc","pearson_symbol":"hP9","strukturbericht_symbol":"C22","nsites_wyckoff":4,"spacegroup":189},{"id":49,"created_at":"2022-09-04T14:35:36.693884Z","updated_at":"2022-09-04T14:35:36.693903Z","structure_string":"Ni6 Sn2\n1.0\n0.000000 0.000000 -4.247000\n-2.647500 -4.585605 -0.000000\n-2.647500 4.585605 0.000000\nNi Sn\n6 2\ndirect\n0.750000 0.160800 0.839200 Ni\n0.250000 0.839200 0.678400 Ni\n0.750000 0.678400 0.839200 Ni\n0.250000 0.839200 0.160800 Ni\n0.750000 0.160800 0.321600 Ni\n0.250000 0.321600 0.160800 Ni\n0.750000 0.666670 0.333340 Sn\n0.250000 0.333340 0.666670 Sn\n","nsites":8,"nelements":2,"elements":["Ni","Sn"],"chemical_system":"Ni-Sn","density":9.493957148731027,"density_atomic":0.07757916828826006,"volume":103.120466183325,"volume_molar":7.762574532410039,"formula_full":"Ni6 Sn2","formula_reduced":"Ni3Sn","formula_anonymous":"AB3","mineral_name":null,"aflow_id":"A3B_hP8_194_h_c","pearson_symbol":"hP8","strukturbericht_symbol":"D0_19","nsites_wyckoff":2,"spacegroup":194},{"id":67,"created_at":"2022-09-04T14:35:37.030968Z","updated_at":"2022-09-04T14:35:37.030991Z","structure_string":"U1 B12\n1.0\n-3.734000 -3.734000 -0.000000\n-3.734000 0.000000 -3.734000\n0.000000 -3.734000 -3.734000\nB U\n12 1\ndirect\n0.500000 0.500000 0.168000 B\n0.500000 0.500000 0.832000 B\n0.168000 0.832000 0.500000 B\n0.832000 0.168000 0.500000 B\n0.168000 0.500000 0.500000 B\n0.500000 0.168000 0.832000 B\n0.500000 0.832000 0.168000 B\n0.832000 0.500000 0.500000 B\n0.500000 0.168000 0.500000 B\n0.168000 0.500000 0.832000 B\n0.500000 0.832000 0.500000 B\n0.832000 0.500000 0.168000 B\n0.000000 0.000000 0.000000 U\n","nsites":13,"nelements":2,"elements":["B","U"],"chemical_system":"B-U","density":5.864915054762329,"density_atomic":0.12485053733050559,"volume":104.12450180799999,"volume_molar":4.823480049635773,"formula_full":"U1 B12","formula_reduced":"UB12","formula_anonymous":"AB12","mineral_name":null,"aflow_id":"A12B_cF52_225_i_a","pearson_symbol":"cF52","strukturbericht_symbol":"D2_f","nsites_wyckoff":2,"spacegroup":225},{"id":197,"created_at":"2022-09-04T14:35:36.792287Z","updated_at":"2022-09-04T14:35:36.792309Z","structure_string":"Na2 Tl2\n1.0\n-3.741500 -3.741500 -0.000000\n-3.741500 0.000000 -3.741500\n0.000000 -3.741500 -3.741500\nNa Tl\n2 2\ndirect\n0.875000 0.875000 0.875000 Na\n0.125000 0.125000 0.125000 Na\n0.625000 0.625000 0.625000 Tl\n0.375000 0.375000 0.375000 Tl\n","nsites":4,"nelements":2,"elements":["Na","Tl"],"chemical_system":"Na-Tl","density":7.2085990969292855,"density_atomic":0.03818499578387626,"volume":104.75318689674998,"volume_molar":15.7709609137704,"formula_full":"Na2 Tl2","formula_reduced":"NaTl","formula_anonymous":"AB","mineral_name":"Zintl Phase","aflow_id":"AB_cF16_227_a_b","pearson_symbol":"cF16","strukturbericht_symbol":"B32","nsites_wyckoff":2,"spacegroup":227},{"id":32,"created_at":"2022-09-04T14:35:37.073774Z","updated_at":"2022-09-04T14:35:37.073801Z","structure_string":"Ti2 Fe2 O6\n1.0\n-2.544200 -4.406684 -0.000000\n2.544200 -4.406684 -0.000000\n-0.000000 -2.937789 4.695167\nFe O Ti\n2 6 2\ndirect\n0.644630 0.644630 0.066110 Fe\n0.355370 0.355370 0.933890 Fe\n0.778260 0.437510 0.735180 O\n0.049050 0.778260 0.735180 O\n0.437510 0.049050 0.735180 O\n0.221740 0.562490 0.264820 O\n0.950950 0.221740 0.264820 O\n0.562490 0.950950 0.264820 O\n0.853600 0.853600 0.439200 Ti\n0.146400 0.146400 0.560800 Ti\n","nsites":10,"nelements":3,"elements":["Fe","O","Ti"],"chemical_system":"Fe-O-Ti","density":4.785746355617606,"density_atomic":0.09498516976823566,"volume":105.27959285012655,"volume_molar":6.340085272989516,"formula_full":"Ti2 Fe2 O6","formula_reduced":"TiFeO3","formula_anonymous":"ABC3","mineral_name":"Ilmenite","aflow_id":"AB3C_hR10_148_c_f_c","pearson_symbol":"hR10","strukturbericht_symbol":"None","nsites_wyckoff":3,"spacegroup":148},{"id":203,"created_at":"2022-09-04T14:35:36.921357Z","updated_at":"2022-09-04T14:35:36.921377Z","structure_string":"Ca1 Cu5\n1.0\n0.000000 0.000000 -4.183000\n-2.702500 -4.680867 -0.000000\n-2.702500 4.680867 0.000000\nCa Cu\n1 5\ndirect\n0.000000 0.000000 0.000000 Ca\n1.000000 0.666670 0.333340 Cu\n0.000000 0.333340 0.666670 Cu\n0.500000 0.500000 0.500000 Cu\n0.500000 0.500000 0.000000 Cu\n0.500000 0.000000 0.500000 Cu\n","nsites":6,"nelements":2,"elements":["Ca","Cu"],"chemical_system":"Ca-Cu","density":5.6142180945465014,"density_atomic":0.05669455959796634,"volume":105.830260302705,"volume_molar":10.622078736838828,"formula_full":"Ca1 Cu5","formula_reduced":"CaCu5","formula_anonymous":"AB5","mineral_name":null,"aflow_id":"AB5_hP6_191_a_cg","pearson_symbol":"hP6","strukturbericht_symbol":"D2_d","nsites_wyckoff":3,"spacegroup":191},{"id":237,"created_at":"2022-09-04T14:35:36.812518Z","updated_at":"2022-09-04T14:35:36.812537Z","structure_string":"Mo2 S4\n1.0\n-1.580500 -2.737506 -0.000000\n-1.580500 2.737506 0.000000\n0.000000 0.000000 -12.295000\nMo S\n2 4\ndirect\n0.666670 0.333340 0.750000 Mo\n0.333340 0.666670 0.250000 Mo\n0.666670 0.333340 0.372500 S\n0.333340 0.666670 0.872500 S\n0.333340 0.666670 0.627500 S\n0.666670 0.333330 0.127500 S\n","nsites":6,"nelements":2,"elements":["Mo","S"],"chemical_system":"Mo-S","density":4.996673009525922,"density_atomic":0.05639532992838749,"volume":106.39178824947,"volume_molar":10.67843874244037,"formula_full":"Mo2 S4","formula_reduced":"MoS2","formula_anonymous":"AB2","mineral_name":"Molybdenite","aflow_id":"AB2_hP6_194_c_f","pearson_symbol":"hP6","strukturbericht_symbol":"C7","nsites_wyckoff":2,"spacegroup":194}]}