{"count":288,"next":"https://simmate.org/third-parties/AflowPrototype/?format=json&ordering=density&page=13","previous":"https://simmate.org/third-parties/AflowPrototype/?format=json&ordering=density&page=11","results":[{"id":42,"created_at":"2022-09-04T14:35:36.550135Z","updated_at":"2022-09-04T14:35:36.550155Z","structure_string":"Sn4 S4\n1.0\n-0.000000 3.982000 0.000000\n-0.000000 -0.000000 4.329000\n11.180000 -0.000000 0.000000\nSn S\n4 4\ndirect\n0.250000 0.380600 0.619370 Sn\n0.250000 0.119400 0.119370 Sn\n0.750000 0.619400 0.380630 Sn\n0.750000 0.880600 0.880630 Sn\n0.250000 0.020100 0.350700 S\n0.250000 0.479900 0.850700 S\n0.750000 0.979900 0.649300 S\n0.750000 0.520100 0.149300 S\n","nsites":8,"nelements":2,"elements":["Sn","S"],"chemical_system":"S-Sn","density":5.196462300306886,"density_atomic":0.04151063165285484,"volume":192.72171204,"volume_molar":14.507465967663334,"formula_full":"Sn4 S4","formula_reduced":"SnS","formula_anonymous":"AB","mineral_name":null,"aflow_id":"AB_oP8_62_c_c","pearson_symbol":"oP8","strukturbericht_symbol":"B29","nsites_wyckoff":2,"spacegroup":62},{"id":263,"created_at":"2022-09-04T14:35:36.642622Z","updated_at":"2022-09-04T14:35:36.642646Z","structure_string":"Al2 Cr4 C2\n1.0\n-1.430000 -2.476833 -0.000000\n-1.430000 2.476833 0.000000\n0.000000 0.000000 -12.820000\nAl Cr C\n2 4 2\ndirect\n0.666670 0.333340 0.250000 Al\n0.333340 0.666670 0.750000 Al\n0.666670 0.333340 0.914000 Cr\n0.333340 0.666670 0.414000 Cr\n0.333340 0.666670 0.086000 Cr\n0.666670 0.333330 0.586000 Cr\n0.000000 0.000000 0.000000 C\n0.000000 0.000000 0.500000 C\n","nsites":8,"nelements":3,"elements":["Al","Cr","C"],"chemical_system":"Al-C-Cr","density":5.228981243553344,"density_atomic":0.08809255440461683,"volume":90.8135773116,"volume_molar":6.83615181861997,"formula_full":"Al2 Cr4 C2","formula_reduced":"AlCr2C","formula_anonymous":"ABC2","mineral_name":"H-Phase","aflow_id":"ABC2_hP8_194_d_a_f","pearson_symbol":"hP8","strukturbericht_symbol":"None","nsites_wyckoff":3,"spacegroup":194},{"id":171,"created_at":"2022-09-04T14:35:36.940350Z","updated_at":"2022-09-04T14:35:36.940376Z","structure_string":"Sr2 Cu2 O4\n1.0\n-3.577000 0.000000 -0.000000\n0.000000 0.000000 -3.918200\n1.788500 -8.171000 -0.000000\nCu O Sr\n2 4 2\ndirect\n0.938910 0.750000 0.877820 Cu\n0.061090 0.250000 0.122180 Cu\n0.055800 0.750000 0.111600 O\n0.944200 0.250000 0.888400 O\n0.820800 0.750000 0.641600 O\n0.179200 0.250000 0.358400 O\n0.669040 0.750000 0.338080 Sr\n0.330960 0.250000 0.661920 Sr\n","nsites":8,"nelements":3,"elements":["Cu","O","Sr"],"chemical_system":"Cu-O-Sr","density":5.311783411032592,"density_atomic":0.06985688822071857,"volume":114.5198448394,"volume_molar":8.62068281795283,"formula_full":"Sr2 Cu2 O4","formula_reduced":"SrCuO2","formula_anonymous":"ABC2","mineral_name":null,"aflow_id":"AB2C_oC16_63_c_2c_c","pearson_symbol":"oC16","strukturbericht_symbol":"None","nsites_wyckoff":4,"spacegroup":63},{"id":112,"created_at":"2022-09-04T14:35:36.460590Z","updated_at":"2022-09-04T14:35:36.460633Z","structure_string":"Ni3 S3\n1.0\n0.000000 0.000000 -3.149900\n-0.000000 -5.553532 1.049967\n-4.809500 2.776766 1.049967\nNi S\n3 3\ndirect\n0.999810 0.000000 0.263430 Ni\n0.999810 0.263430 1.000000 Ni\n0.736380 0.736570 0.736570 Ni\n0.271200 1.000000 0.662810 S\n0.271200 0.662810 0.000000 S\n0.608390 0.337190 0.337190 S\n","nsites":6,"nelements":2,"elements":["Ni","S"],"chemical_system":"Ni-S","density":5.373920149588261,"density_atomic":0.07131572082585094,"volume":84.1329223138846,"volume_molar":8.444338345405967,"formula_full":"Ni3 S3","formula_reduced":"NiS","formula_anonymous":"AB","mineral_name":"Millerite","aflow_id":"AB_hR6_160_b_b","pearson_symbol":"hR6","strukturbericht_symbol":"B13","nsites_wyckoff":2,"spacegroup":160},{"id":44,"created_at":"2022-09-04T14:35:36.580544Z","updated_at":"2022-09-04T14:35:36.580572Z","structure_string":"Hg4 Cl8\n1.0\n0.000000 0.000000 -4.325000\n0.000000 -5.963000 -0.000000\n-12.735000 0.000000 -0.000000\nHg Cl\n4 8\ndirect\n0.553000 0.750000 0.126000 Hg\n0.947000 0.750000 0.626000 Hg\n0.447000 0.250000 0.874000 Hg\n0.053000 0.250000 0.374000 Hg\n0.875000 0.750000 0.267000 Cl\n0.625000 0.750000 0.767000 Cl\n0.125000 0.250000 0.733000 Cl\n0.375000 0.250000 0.233000 Cl\n0.278000 0.750000 0.492000 Cl\n0.222000 0.750000 0.992000 Cl\n0.722000 0.250000 0.508000 Cl\n0.778000 0.250000 0.008000 Cl\n","nsites":12,"nelements":2,"elements":["Hg","Cl"],"chemical_system":"Cl-Hg","density":5.490636006730003,"density_atomic":0.03653687299910025,"volume":328.435331625,"volume_molar":16.48236498002525,"formula_full":"Hg4 Cl8","formula_reduced":"HgCl2","formula_anonymous":"AB2","mineral_name":null,"aflow_id":"A2B_oP12_62_2c_c","pearson_symbol":"oP12","strukturbericht_symbol":"C25","nsites_wyckoff":3,"spacegroup":62},{"id":259,"created_at":"2022-09-04T14:35:36.548441Z","updated_at":"2022-09-04T14:35:36.548459Z","structure_string":"Ti3 Cu1\n1.0\n-0.000000 -0.000000 3.594000\n4.158000 -0.000000 0.000000\n-0.000000 4.158000 0.000000\nTi Cu\n3 1\ndirect\n1.000000 0.500000 0.500000 Ti\n0.500000 0.000000 0.500000 Ti\n0.500000 0.500000 0.000000 Ti\n0.000000 0.000000 0.000000 Cu\n","nsites":4,"nelements":2,"elements":["Ti","Cu"],"chemical_system":"Cu-Ti","density":5.535803969164532,"density_atomic":0.06437436358450029,"volume":62.136536616000015,"volume_molar":9.354874246011153,"formula_full":"Ti3 Cu1","formula_reduced":"Ti3Cu","formula_anonymous":"AB3","mineral_name":null,"aflow_id":"AB3_tP4_123_a_ce","pearson_symbol":"tP4","strukturbericht_symbol":"L6_0","nsites_wyckoff":3,"spacegroup":123},{"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":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":159,"created_at":"2022-09-04T14:35:36.692381Z","updated_at":"2022-09-04T14:35:36.692404Z","structure_string":"Mg1 Ag1 As1\n1.0\n-3.120000 -3.120000 0.000000\n-3.120000 0.000000 -3.120000\n0.000000 -3.120000 -3.120000\nAg As Mg\n1 1 1\ndirect\n0.500000 0.500000 0.500000 Ag\n0.750000 0.750000 0.750000 As\n0.000000 0.000000 0.000000 Mg\n","nsites":3,"nelements":3,"elements":["Ag","As","Mg"],"chemical_system":"Ag-As-Mg","density":5.661408778202153,"density_atomic":0.0493886865928286,"volume":60.742656000000004,"volume_molar":12.193360818941954,"formula_full":"Mg1 Ag1 As1","formula_reduced":"MgAgAs","formula_anonymous":"ABC","mineral_name":"half-Heusler","aflow_id":"ABC_cF12_216_b_c_a","pearson_symbol":"cF12","strukturbericht_symbol":"C1_b","nsites_wyckoff":3,"spacegroup":216},{"id":177,"created_at":"2022-09-04T14:35:37.105395Z","updated_at":"2022-09-04T14:35:37.105426Z","structure_string":"Cd1 I2\n1.0\n-2.120000 -3.671948 -0.000000\n-2.120000 3.671948 0.000000\n0.000000 0.000000 -6.840000\nCd I\n1 2\ndirect\n0.000000 0.000000 0.000000 Cd\n0.666670 0.333340 0.748000 I\n0.333340 0.666670 0.252000 I\n","nsites":3,"nelements":2,"elements":["Cd","I"],"chemical_system":"Cd-I","density":5.710479856935886,"density_atomic":0.0281710331099094,"volume":106.49236711680001,"volume_molar":21.377067488098835,"formula_full":"Cd1 I2","formula_reduced":"CdI2","formula_anonymous":"AB2","mineral_name":"trigonal omega","aflow_id":"AB2_hP3_164_a_d","pearson_symbol":"hP3","strukturbericht_symbol":"C6","nsites_wyckoff":2,"spacegroup":164},{"id":126,"created_at":"2022-09-04T14:35:36.859560Z","updated_at":"2022-09-04T14:35:36.859587Z","structure_string":"Ti16 Ni8\n1.0\n-5.639000 -5.639000 0.000000\n-5.639000 0.000000 -5.639000\n0.000000 -5.639000 -5.639000\nNi Ti\n8 16\ndirect\n0.785000 0.785000 0.785000 Ni\n0.785000 0.785000 0.145000 Ni\n0.785000 0.145000 0.785000 Ni\n0.145000 0.785000 0.785000 Ni\n0.215000 0.215000 0.215000 Ni\n0.215000 0.215000 0.855000 Ni\n0.215000 0.855000 0.215000 Ni\n0.855000 0.215000 0.215000 Ni\n0.000000 0.000000 0.000000 Ti\n0.000000 0.000000 0.500000 Ti\n0.000000 0.500000 0.000000 Ti\n0.500000 1.000000 0.000000 Ti\n0.560000 0.560000 0.190000 Ti\n0.190000 0.190000 0.560000 Ti\n0.190000 0.560000 0.560000 Ti\n0.560000 0.190000 0.190000 Ti\n0.560000 0.190000 0.560000 Ti\n0.190000 0.560000 0.190000 Ti\n0.440000 0.810000 0.440000 Ti\n0.810000 0.440000 0.810000 Ti\n0.440000 0.440000 0.810000 Ti\n0.810000 0.810000 0.440000 Ti\n0.810000 0.440000 0.440000 Ti\n0.440000 0.810000 0.810000 Ti\n","nsites":24,"nelements":2,"elements":["Ni","Ti"],"chemical_system":"Ni-Ti","density":5.720410097556961,"density_atomic":0.0669229323766085,"volume":358.62146423800004,"volume_molar":8.998620571660593,"formula_full":"Ti16 Ni8","formula_reduced":"Ti2Ni","formula_anonymous":"AB2","mineral_name":null,"aflow_id":"AB2_cF96_227_e_cf","pearson_symbol":"cF96","strukturbericht_symbol":"None","nsites_wyckoff":3,"spacegroup":227},{"id":245,"created_at":"2022-09-04T14:35:36.982573Z","updated_at":"2022-09-04T14:35:36.982594Z","structure_string":"Ti4 As4\n1.0\n-1.820000 -3.152332 -0.000000\n-1.820000 3.152332 0.000000\n0.000000 0.000000 -12.280000\nTi As\n4 4\ndirect\n0.666670 0.333340 0.875000 Ti\n0.333340 0.666670 0.375000 Ti\n0.333340 0.666670 0.125000 Ti\n0.666670 0.333330 0.625000 Ti\n0.000000 0.000000 0.000000 As\n0.000000 0.000000 0.500000 As\n0.666670 0.333340 0.250000 As\n0.333340 0.666670 0.750000 As\n","nsites":8,"nelements":2,"elements":["Ti","As"],"chemical_system":"As-Ti","density":5.788092132266728,"density_atomic":0.05677514942658277,"volume":140.9067185344,"volume_molar":10.60700116304822,"formula_full":"Ti4 As4","formula_reduced":"TiAs","formula_anonymous":"AB","mineral_name":null,"aflow_id":"AB_hP8_194_ad_f","pearson_symbol":"hP8","strukturbericht_symbol":"B_i","nsites_wyckoff":3,"spacegroup":194}]}