{"count":288,"next":"https://simmate.org/third-parties/AflowPrototype/?format=json&ordering=volume&page=16","previous":"https://simmate.org/third-parties/AflowPrototype/?format=json&ordering=volume&page=14","results":[{"id":151,"created_at":"2022-09-04T14:35:36.537500Z","updated_at":"2022-09-04T14:35:36.537516Z","structure_string":"Fe2 Cu2 S4\n1.0\n5.289000 -0.000000 -0.000000\n-0.000000 5.289000 0.000000\n-2.644500 -2.644500 5.211500\nCu Fe S\n2 2 4\ndirect\n0.000000 0.000000 0.000000 Cu\n0.250000 0.750000 0.500000 Cu\n0.500000 0.500000 0.000000 Fe\n0.750000 0.250000 0.500000 Fe\n0.382400 0.375000 0.250000 S\n0.867600 0.875000 0.250000 S\n0.625000 0.132400 0.750000 S\n0.125000 0.617600 0.750000 S\n","nsites":8,"nelements":3,"elements":["Cu","Fe","S"],"chemical_system":"Cu-Fe-S","density":4.180757562345477,"density_atomic":0.054875704758757006,"volume":145.7840046915,"volume_molar":10.974147460108917,"formula_full":"Fe2 Cu2 S4","formula_reduced":"FeCuS2","formula_anonymous":"ABC2","mineral_name":"Chalcopyrite","aflow_id":"ABC2_tI16_122_a_b_d","pearson_symbol":"tI16","strukturbericht_symbol":"E1_1","nsites_wyckoff":3,"spacegroup":122},{"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":229,"created_at":"2022-09-04T14:35:36.662338Z","updated_at":"2022-09-04T14:35:36.662364Z","structure_string":"Cu3 As1 S4\n1.0\n5.280000 0.000000 0.000000\n-0.000000 5.280000 0.000000\n0.000000 0.000000 5.280000\nCu As S\n3 1 4\ndirect\n0.000000 0.500000 0.500000 Cu\n0.500000 0.500000 0.000000 Cu\n0.500000 0.000000 0.500000 Cu\n0.000000 0.000000 0.000000 As\n0.250000 0.250000 0.250000 S\n0.250000 0.750000 0.750000 S\n0.750000 0.250000 0.750000 S\n0.750000 0.750000 0.250000 S\n","nsites":8,"nelements":3,"elements":["Cu","As","S"],"chemical_system":"As-Cu-S","density":4.44267615213006,"density_atomic":0.05434858224114422,"volume":147.19795200000002,"volume_molar":11.080584831596545,"formula_full":"Cu3 As1 S4","formula_reduced":"Cu3AsS4","formula_anonymous":"AB3C4","mineral_name":"Lavarevi\\'{c}ite","aflow_id":"AB3C4_cP8_215_a_c_e","pearson_symbol":"cP8","strukturbericht_symbol":"None","nsites_wyckoff":3,"spacegroup":215},{"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":115,"created_at":"2022-09-04T14:35:36.550535Z","updated_at":"2022-09-04T14:35:36.550556Z","structure_string":"La4\n1.0\n-1.885000 -3.264916 -0.000000\n-1.885000 3.264916 0.000000\n0.000000 0.000000 -12.130000\nLa\n4\ndirect\n0.000000 0.000000 0.000000 La\n0.000000 0.000000 0.500000 La\n0.666670 0.333340 0.750000 La\n0.333340 0.666670 0.250000 La\n","nsites":4,"nelements":1,"elements":["La"],"chemical_system":"La","density":6.179513335827329,"density_atomic":0.026790808993706047,"volume":149.30493517160002,"volume_molar":22.478383394151255,"formula_full":"La4","formula_reduced":"La","formula_anonymous":"A","mineral_name":"alpha La","aflow_id":"A_hP4_194_ac","pearson_symbol":"hP4","strukturbericht_symbol":"A3'","nsites_wyckoff":2,"spacegroup":194},{"id":33,"created_at":"2022-09-04T14:35:37.101011Z","updated_at":"2022-09-04T14:35:37.101035Z","structure_string":"Np8\n1.0\n-0.000000 4.723000 0.000000\n-0.000000 -0.000000 4.887000\n6.663000 -0.000000 0.000000\nNp\n8\ndirect\n0.250000 0.292000 0.464000 Np\n0.250000 0.208000 0.964000 Np\n0.750000 0.708000 0.536000 Np\n0.750000 0.792000 0.036000 Np\n0.250000 0.658000 0.181000 Np\n0.250000 0.842000 0.681000 Np\n0.750000 0.342000 0.819000 Np\n0.750000 0.158000 0.319000 Np\n","nsites":8,"nelements":1,"elements":["Np"],"chemical_system":"Np","density":20.471861399766375,"density_atomic":0.05201874726211317,"volume":153.79070856299998,"volume_molar":11.576866181831539,"formula_full":"Np8","formula_reduced":"Np","formula_anonymous":"A","mineral_name":"alpha Np","aflow_id":"A_oP8_62_2c","pearson_symbol":"oP8","strukturbericht_symbol":"A_c","nsites_wyckoff":2,"spacegroup":62},{"id":193,"created_at":"2022-09-04T14:35:36.679103Z","updated_at":"2022-09-04T14:35:36.679125Z","structure_string":"Fe12 C4\n1.0\n-0.000000 -0.000000 4.523000\n5.090000 -0.000000 0.000000\n-0.000000 6.748000 0.000000\nFe C\n12 4\ndirect\n0.852000 0.036000 0.250000 Fe\n0.648000 0.536000 0.250000 Fe\n0.148000 0.964000 0.750000 Fe\n0.352000 0.464000 0.750000 Fe\n0.328000 0.186000 0.063000 Fe\n0.172000 0.686000 0.437000 Fe\n0.672000 0.814000 0.563000 Fe\n0.828000 0.314000 0.937000 Fe\n0.672000 0.814000 0.937000 Fe\n0.828000 0.314000 0.563000 Fe\n0.328000 0.186000 0.437000 Fe\n0.172000 0.686000 0.063000 Fe\n0.050000 0.390000 0.250000 C\n0.450000 0.890000 0.250000 C\n0.950000 0.610000 0.750000 C\n0.550000 0.110000 0.750000 C\n","nsites":16,"nelements":2,"elements":["Fe","C"],"chemical_system":"C-Fe","density":7.676524729528275,"density_atomic":0.10299129967426898,"volume":155.35292836,"volume_molar":5.847232512888224,"formula_full":"Fe12 C4","formula_reduced":"Fe3C","formula_anonymous":"AB3","mineral_name":"Cementite","aflow_id":"AB3_oP16_62_c_cd","pearson_symbol":"oP16","strukturbericht_symbol":"D0_11","nsites_wyckoff":3,"spacegroup":62},{"id":265,"created_at":"2022-09-04T14:35:36.683213Z","updated_at":"2022-09-04T14:35:36.683236Z","structure_string":"V1 Cu3 S4\n1.0\n5.391200 0.000000 0.000000\n-0.000000 5.391200 0.000000\n0.000000 0.000000 5.391200\nV Cu S\n1 3 4\ndirect\n0.000000 0.000000 0.000000 V\n0.500000 0.000000 0.000000 Cu\n0.000000 0.000000 0.500000 Cu\n0.000000 0.500000 0.000000 Cu\n0.237200 0.237200 0.237200 S\n0.237200 0.762800 0.762800 S\n0.762800 0.237200 0.762800 S\n0.762800 0.762800 0.237200 S\n","nsites":8,"nelements":3,"elements":["V","Cu","S"],"chemical_system":"Cu-S-V","density":3.9192779184645645,"density_atomic":0.05105445645629504,"volume":156.69542984652804,"volume_molar":11.795524187306214,"formula_full":"V1 Cu3 S4","formula_reduced":"VCu3S4","formula_anonymous":"AB3C4","mineral_name":"Sulvanite","aflow_id":"A3B4C_cP8_215_d_e_a","pearson_symbol":"cP8","strukturbericht_symbol":"H2_4","nsites_wyckoff":3,"spacegroup":215},{"id":7,"created_at":"2022-09-04T14:35:36.562999Z","updated_at":"2022-09-04T14:35:36.563028Z","structure_string":"Mn6 O8\n1.0\n-5.765000 0.000000 0.000000\n-0.000000 5.765000 0.000000\n2.882500 -2.882500 -4.721000\nMn O\n6 8\ndirect\n0.875000 0.625000 0.750000 Mn\n0.125000 0.375000 0.250000 Mn\n0.500000 0.500000 0.000000 Mn\n0.500000 0.000000 0.000000 Mn\n0.500000 0.000000 0.500000 Mn\n0.000000 1.000000 0.500000 Mn\n0.741100 0.768900 0.482200 O\n0.258900 0.231100 0.517800 O\n0.258900 0.786700 0.517800 O\n0.741100 0.213300 0.482200 O\n0.286700 0.758900 0.017800 O\n0.268900 0.241100 0.982200 O\n0.713300 0.241100 0.982200 O\n0.731100 0.758900 0.017800 O\n","nsites":14,"nelements":2,"elements":["Mn","O"],"chemical_system":"Mn-O","density":4.8431148009298495,"density_atomic":0.0892268193354796,"volume":156.903497225,"volume_molar":6.749249614465852,"formula_full":"Mn6 O8","formula_reduced":"Mn3O4","formula_anonymous":"A3B4","mineral_name":"Hausmannite","aflow_id":"A3B4_tI28_141_ad_h","pearson_symbol":"tI28","strukturbericht_symbol":"None","nsites_wyckoff":3,"spacegroup":141},{"id":232,"created_at":"2022-09-04T14:35:36.723269Z","updated_at":"2022-09-04T14:35:36.723287Z","structure_string":"Al2 Cd1 S4\n1.0\n5.550000 -0.000000 -0.000000\n-0.000000 5.550000 0.000000\n-2.775000 -2.775000 5.150000\nAl Cd S\n2 1 4\ndirect\n0.500000 0.500000 0.000000 Al\n0.250000 0.750000 0.500000 Al\n0.000000 0.000000 0.000000 Cd\n0.390000 0.380000 0.260000 S\n0.870000 0.880000 0.260000 S\n0.120000 0.610000 0.740000 S\n0.620000 0.130000 0.740000 S\n","nsites":7,"nelements":3,"elements":["Al","Cd","S"],"chemical_system":"Al-Cd-S","density":3.084174043635282,"density_atomic":0.044127044914239875,"volume":158.632875,"volume_molar":13.64727860590693,"formula_full":"Al2 Cd1 S4","formula_reduced":"Al2CdS4","formula_anonymous":"AB2C4","mineral_name":null,"aflow_id":"A2BC4_tI14_82_bc_a_g","pearson_symbol":"tI14","strukturbericht_symbol":"E3","nsites_wyckoff":4,"spacegroup":82},{"id":227,"created_at":"2022-09-04T14:35:36.636374Z","updated_at":"2022-09-04T14:35:36.636388Z","structure_string":"Fe4 S8\n1.0\n5.417000 0.000000 0.000000\n-0.000000 5.417000 0.000000\n0.000000 0.000000 5.417000\nFe S\n4 8\ndirect\n0.001000 0.002000 0.003000 Fe\n0.496600 0.000100 0.503600 Fe\n0.500100 0.502000 0.001100 Fe\n0.999400 0.501300 0.503800 Fe\n0.385700 0.383200 0.384000 S\n0.114900 0.611400 0.884600 S\n0.885400 0.115700 0.614300 S\n0.615300 0.886500 0.114100 S\n0.615100 0.613200 0.613700 S\n0.885400 0.381800 0.114900 S\n0.114700 0.885600 0.384100 S\n0.385700 0.116100 0.884200 S\n","nsites":12,"nelements":2,"elements":["Fe","S"],"chemical_system":"Fe-S","density":5.013295921729485,"density_atomic":0.07549266194446057,"volume":158.95584671299997,"volume_molar":7.977120696088911,"formula_full":"Fe4 S8","formula_reduced":"FeS2","formula_anonymous":"AB2","mineral_name":"pyrite","aflow_id":"AB2_aP12_1_4a_8a","pearson_symbol":"aP12","strukturbericht_symbol":"None","nsites_wyckoff":12,"spacegroup":205},{"id":195,"created_at":"2022-09-04T14:35:36.708907Z","updated_at":"2022-09-04T14:35:36.708925Z","structure_string":"Fe4 S8\n1.0\n5.417000 0.000000 0.000000\n-0.000000 5.417000 0.000000\n0.000000 0.000000 5.417000\nFe S\n4 8\ndirect\n0.000000 0.000000 0.000000 Fe\n0.500000 0.500000 0.000000 Fe\n0.000000 0.500000 0.500000 Fe\n0.500000 0.000000 0.500000 Fe\n0.385100 0.385100 0.385100 S\n0.885100 0.114900 0.614900 S\n0.614900 0.885100 0.114900 S\n0.114900 0.614900 0.885100 S\n0.614900 0.614900 0.614900 S\n0.114900 0.885100 0.385100 S\n0.385100 0.114900 0.885100 S\n0.885100 0.385100 0.114900 S\n","nsites":12,"nelements":2,"elements":["Fe","S"],"chemical_system":"Fe-S","density":5.013295921729485,"density_atomic":0.07549266194446057,"volume":158.95584671299997,"volume_molar":7.977120696088911,"formula_full":"Fe4 S8","formula_reduced":"FeS2","formula_anonymous":"AB2","mineral_name":"Pyrite","aflow_id":"AB2_cP12_205_a_c","pearson_symbol":"cP12","strukturbericht_symbol":"C2","nsites_wyckoff":2,"spacegroup":205}]}