{"count":288,"next":"https://simmate.org/third-parties/AflowPrototype/?format=json&ordering=nelements&page=18","previous":"https://simmate.org/third-parties/AflowPrototype/?format=json&ordering=nelements&page=16","results":[{"id":106,"created_at":"2022-09-04T14:35:37.204449Z","updated_at":"2022-09-04T14:35:37.204463Z","structure_string":"Cr6 Si2\n1.0\n4.556000 0.000000 0.000000\n-0.000000 4.556000 0.000000\n0.000000 0.000000 4.556000\nCr Si\n6 2\ndirect\n0.250000 0.000000 0.500000 Cr\n0.750000 0.000000 0.500000 Cr\n0.000000 0.500000 0.250000 Cr\n0.000000 0.500000 0.750000 Cr\n0.500000 0.250000 0.000000 Cr\n0.500000 0.750000 0.000000 Cr\n0.000000 0.000000 0.000000 Si\n0.500000 0.500000 0.500000 Si\n","nsites":8,"nelements":2,"elements":["Cr","Si"],"chemical_system":"Cr-Si","density":6.464276505490609,"density_atomic":0.08459385972599755,"volume":94.569511616,"volume_molar":7.118886381950088,"formula_full":"Cr6 Si2","formula_reduced":"Cr3Si","formula_anonymous":"AB3","mineral_name":null,"aflow_id":"A3B_cP8_223_c_a","pearson_symbol":"cP8","strukturbericht_symbol":"A15","nsites_wyckoff":2,"spacegroup":223},{"id":36,"created_at":"2022-09-04T14:35:37.147876Z","updated_at":"2022-09-04T14:35:37.147893Z","structure_string":"Ba4 S12\n1.0\n-0.000000 -0.000000 4.820000\n8.320000 -0.000000 0.000000\n-0.000000 9.640000 0.000000\nBa S\n4 12\ndirect\n0.000000 0.000000 0.000000 Ba\n1.000000 0.500000 0.500000 Ba\n1.000000 1.000000 0.500000 Ba\n0.000000 0.500000 0.000000 Ba\n1.000000 0.250000 0.250000 S\n0.000000 0.750000 0.250000 S\n0.000000 0.250000 0.750000 S\n1.000000 0.750000 0.750000 S\n0.500000 0.250000 0.500000 S\n0.500000 0.750000 0.000000 S\n0.500000 0.250000 0.000000 S\n0.500000 0.750000 0.500000 S\n0.382000 0.124000 0.309000 S\n0.618000 0.624000 0.191000 S\n0.618000 0.376000 0.809000 S\n0.382000 0.876000 0.691000 S\n","nsites":16,"nelements":2,"elements":["Ba","S"],"chemical_system":"Ba-S","density":4.012263914654057,"density_atomic":0.04138782310645742,"volume":386.58713600000004,"volume_molar":14.550513431232897,"formula_full":"Ba4 S12","formula_reduced":"BaS3","formula_anonymous":"AB3","mineral_name":null,"aflow_id":"AB3_oP16_18_ab_3c","pearson_symbol":"oP16","strukturbericht_symbol":"None","nsites_wyckoff":5,"spacegroup":18},{"id":51,"created_at":"2022-09-04T14:35:36.716341Z","updated_at":"2022-09-04T14:35:36.716362Z","structure_string":"Al4 O6\n1.0\n-2.380350 -4.122887 -0.000000\n2.380350 -4.122887 -0.000000\n-0.000000 -2.748591 4.331567\nAl O\n4 6\ndirect\n0.647840 0.647840 0.056480 Al\n0.852160 0.852160 0.443520 Al\n0.352160 0.352160 0.943520 Al\n0.147840 0.147840 0.556480 Al\n0.443900 0.056100 0.750000 O\n0.750000 0.443900 0.750000 O\n0.056100 0.750000 0.750000 O\n0.556100 0.943900 0.250000 O\n0.250000 0.556100 0.250000 O\n0.943900 0.250000 0.250000 O\n","nsites":10,"nelements":2,"elements":["Al","O"],"chemical_system":"Al-O","density":3.982878672305112,"density_atomic":0.11762041758198062,"volume":85.01925265679378,"volume_molar":5.119979068092161,"formula_full":"Al4 O6","formula_reduced":"Al2O3","formula_anonymous":"A2B3","mineral_name":"Corundum","aflow_id":"A2B3_hR10_167_c_e","pearson_symbol":"hR10","strukturbericht_symbol":"D5_1","nsites_wyckoff":2,"spacegroup":167},{"id":16,"created_at":"2022-09-04T14:35:36.724364Z","updated_at":"2022-09-04T14:35:36.724385Z","structure_string":"Ca1 C6\n1.0\n-2.166520 -3.752523 -0.000000\n2.166520 -3.752523 -0.000000\n-0.000000 -2.501682 4.524433\nC Ca\n6 1\ndirect\n0.833330 0.166670 0.500000 C\n0.500000 0.833330 0.500000 C\n0.166670 0.500000 0.500000 C\n0.166670 0.833330 0.500000 C\n0.500000 0.166670 0.500000 C\n0.833330 0.500000 0.500000 C\n0.000000 0.000000 0.000000 Ca\n","nsites":7,"nelements":2,"elements":["C","Ca"],"chemical_system":"C-Ca","density":2.53126693956333,"density_atomic":0.09515197732447611,"volume":73.56652165124663,"volume_molar":6.328970694391356,"formula_full":"Ca1 C6","formula_reduced":"CaC6","formula_anonymous":"AB6","mineral_name":null,"aflow_id":"A6B_hR7_166_g_a","pearson_symbol":"hR7","strukturbericht_symbol":"None","nsites_wyckoff":2,"spacegroup":166},{"id":233,"created_at":"2022-09-04T14:35:36.731674Z","updated_at":"2022-09-04T14:35:36.731688Z","structure_string":"Ba1 Al4\n1.0\n4.530000 -0.000000 -0.000000\n-0.000000 4.530000 0.000000\n-2.265000 -2.265000 5.550000\nAl Ba\n4 1\ndirect\n0.250000 0.750000 0.500000 Al\n0.750000 0.250000 0.500000 Al\n0.380000 0.380000 0.760000 Al\n0.620000 0.620000 0.240000 Al\n0.000000 0.000000 0.000000 Ba\n","nsites":5,"nelements":2,"elements":["Al","Ba"],"chemical_system":"Al-Ba","density":3.5758089925202743,"density_atomic":0.0439016271655191,"volume":113.890995,"volume_molar":13.717352063729125,"formula_full":"Ba1 Al4","formula_reduced":"BaAl4","formula_anonymous":"AB4","mineral_name":null,"aflow_id":"A4B_tI10_139_de_a","pearson_symbol":"tI10","strukturbericht_symbol":"D1_3","nsites_wyckoff":3,"spacegroup":139},{"id":17,"created_at":"2022-09-04T14:35:36.734076Z","updated_at":"2022-09-04T14:35:36.734090Z","structure_string":"U3 Si1\n1.0\n-3.008500 -3.008500 -0.000000\n-3.008500 3.008500 0.000000\n0.000000 0.000000 -4.339500\nSi U\n1 3\ndirect\n0.500000 0.500000 0.500000 Si\n0.000000 0.000000 0.500000 U\n0.000000 0.500000 1.000000 U\n0.500000 0.000000 0.000000 U\n","nsites":4,"nelements":2,"elements":["Si","U"],"chemical_system":"Si-U","density":15.688595932404018,"density_atomic":0.050920219994946635,"volume":78.55425605775001,"volume_molar":11.826619681921333,"formula_full":"U3 Si1","formula_reduced":"U3Si","formula_anonymous":"AB3","mineral_name":"Uranium Silicide","aflow_id":"AB3_tI16_140_b_ah","pearson_symbol":"tI16","strukturbericht_symbol":"D0_c","nsites_wyckoff":3,"spacegroup":221},{"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":122,"created_at":"2022-09-04T14:35:36.737474Z","updated_at":"2022-09-04T14:35:36.737497Z","structure_string":"Ca1 F2\n1.0\n-2.731550 -2.731550 0.000000\n-2.731550 0.000000 -2.731550\n0.000000 -2.731550 -2.731550\nCa F\n1 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.750000 0.750000 0.750000 F\n0.250000 0.250000 0.250000 F\n","nsites":3,"nelements":2,"elements":["Ca","F"],"chemical_system":"Ca-F","density":3.1805523941757374,"density_atomic":0.07359762426090531,"volume":40.76218533039775,"volume_molar":8.182520591495413,"formula_full":"Ca1 F2","formula_reduced":"CaF2","formula_anonymous":"AB2","mineral_name":"Fluorite","aflow_id":"AB2_cF12_225_a_c","pearson_symbol":"cF12","strukturbericht_symbol":"C1","nsites_wyckoff":2,"spacegroup":225},{"id":161,"created_at":"2022-09-04T14:35:36.739285Z","updated_at":"2022-09-04T14:35:36.739308Z","structure_string":"Al13 Pd13\n1.0\n0.000000 0.000000 -5.251000\n-0.000000 -9.040728 1.750333\n-7.829500 4.520364 1.750333\nAl Pd\n13 13\ndirect\n0.500000 0.000000 0.000000 Al\n0.946000 0.044000 0.292000 Al\n0.902000 0.248000 0.956000 Al\n0.654000 0.708000 0.752000 Al\n0.054000 0.956000 0.708000 Al\n0.098000 0.752000 0.044000 Al\n0.346000 0.292000 0.248000 Al\n0.246000 0.846000 0.402990 Al\n0.400000 0.556990 0.154000 Al\n0.843010 0.597010 0.443010 Al\n0.754000 0.154000 0.597010 Al\n0.600000 0.443010 0.846000 Al\n0.156990 0.402990 0.556990 Al\n0.000000 0.000000 0.000000 Pd\n0.445000 0.044000 0.289010 Pd\n0.401000 0.245010 0.956000 Pd\n0.155990 0.710990 0.754990 Pd\n0.555000 0.956000 0.710990 Pd\n0.599000 0.754990 0.044000 Pd\n0.844010 0.289010 0.245010 Pd\n0.748000 0.846000 0.403010 Pd\n0.902000 0.557010 0.154000 Pd\n0.344990 0.596990 0.442990 Pd\n0.252000 0.154000 0.596990 Pd\n0.098000 0.442990 0.846000 Pd\n0.655010 0.403010 0.557010 Pd\n","nsites":26,"nelements":2,"elements":["Al","Pd"],"chemical_system":"Al-Pd","density":7.747718596499826,"density_atomic":0.06995099526253223,"volume":371.68877872887606,"volume_molar":8.609085170837636,"formula_full":"Al13 Pd13","formula_reduced":"AlPd","formula_anonymous":"AB","mineral_name":"beta-prime palladium aluminum","aflow_id":"AB_hR26_148_b2f_a2f","pearson_symbol":"hR26","strukturbericht_symbol":"None","nsites_wyckoff":6,"spacegroup":148},{"id":162,"created_at":"2022-09-04T14:35:36.747877Z","updated_at":"2022-09-04T14:35:36.747897Z","structure_string":"Fe4 C2\n1.0\n0.000000 0.000000 -2.830000\n0.000000 -4.318000 -0.000000\n-4.704000 0.000000 -0.000000\nFe C\n4 2\ndirect\n0.000000 0.750000 0.333330 Fe\n0.500000 0.750000 0.833330 Fe\n0.500000 0.250000 0.166670 Fe\n1.000000 0.250000 0.666670 Fe\n0.000000 0.000000 0.000000 C\n0.500000 0.500000 0.500000 C\n","nsites":6,"nelements":2,"elements":["Fe","C"],"chemical_system":"C-Fe","density":7.146853236292103,"density_atomic":0.10437941627222662,"volume":57.48259775999999,"volume_molar":5.769471582686344,"formula_full":"Fe4 C2","formula_reduced":"Fe2C","formula_anonymous":"AB2","mineral_name":"zeta iron carbide","aflow_id":"AB2_oP6_58_a_g","pearson_symbol":"oP6","strukturbericht_symbol":"None","nsites_wyckoff":2,"spacegroup":58},{"id":83,"created_at":"2022-09-04T14:35:36.755972Z","updated_at":"2022-09-04T14:35:36.756002Z","structure_string":"Sn8 Pd4\n1.0\n-0.000000 6.478000 0.000000\n6.478000 0.000000 0.000000\n0.000000 -3.239000 -6.077500\nPd Sn\n4 8\ndirect\n0.990000 0.000000 0.980000 Pd\n0.490000 0.500000 0.980000 Pd\n0.762000 0.000000 0.524000 Pd\n0.262000 0.500000 0.524000 Pd\n0.033000 0.342000 0.750000 Sn\n0.717000 0.658000 0.750000 Sn\n0.217000 0.842000 0.750000 Sn\n0.533000 0.158000 0.750000 Sn\n0.375000 0.250000 0.250000 Sn\n0.875000 0.750000 0.250000 Sn\n0.375000 0.750000 0.250000 Sn\n0.875000 0.250000 0.250000 Sn\n","nsites":12,"nelements":2,"elements":["Pd","Sn"],"chemical_system":"Pd-Sn","density":8.954856527388609,"density_atomic":0.0470515994464069,"volume":255.03915150999998,"volume_molar":12.799013914201554,"formula_full":"Sn8 Pd4","formula_reduced":"Sn2Pd","formula_anonymous":"AB2","mineral_name":null,"aflow_id":"AB2_oC24_41_2a_2b","pearson_symbol":"oC24","strukturbericht_symbol":"C_e","nsites_wyckoff":4,"spacegroup":64},{"id":269,"created_at":"2022-09-04T14:35:36.757928Z","updated_at":"2022-09-04T14:35:36.757949Z","structure_string":"Sb8 S12\n1.0\n-0.000000 3.829600 0.000000\n-0.000000 -0.000000 11.225000\n11.282000 -0.000000 0.000000\nSb S\n8 12\ndirect\n0.250000 0.173980 0.970630 Sb\n0.250000 0.326020 0.470630 Sb\n0.750000 0.826020 0.029370 Sb\n0.750000 0.673980 0.529370 Sb\n0.250000 0.963970 0.649390 Sb\n0.250000 0.536030 0.149390 Sb\n0.750000 0.036030 0.350610 Sb\n0.750000 0.463970 0.850610 Sb\n0.250000 0.191810 0.292200 S\n0.250000 0.308190 0.792200 S\n0.750000 0.808190 0.707800 S\n0.750000 0.691810 0.207800 S\n0.250000 0.877000 0.450400 S\n0.250000 0.623000 0.950400 S\n0.750000 0.123000 0.549600 S\n0.750000 0.377000 0.049600 S\n0.250000 0.561100 0.624600 S\n0.250000 0.938900 0.124600 S\n0.750000 0.438900 0.375400 S\n0.750000 0.061100 0.875400 S\n","nsites":20,"nelements":2,"elements":["Sb","S"],"chemical_system":"S-Sb","density":4.65262395779769,"density_atomic":0.04123862117788245,"volume":484.98226732,"volume_molar":14.603157399524939,"formula_full":"Sb8 S12","formula_reduced":"Sb2S3","formula_anonymous":"A2B3","mineral_name":"Stibnite","aflow_id":"A3B2_oP20_62_3c_2c","pearson_symbol":"oP20","strukturbericht_symbol":"D5_8","nsites_wyckoff":5,"spacegroup":62}]}