{"count":288,"next":"https://simmate.org/third-parties/AflowPrototype/?format=json&ordering=nsites&page=13","previous":"https://simmate.org/third-parties/AflowPrototype/?format=json&ordering=nsites&page=11","results":[{"id":172,"created_at":"2022-09-04T14:35:37.000358Z","updated_at":"2022-09-04T14:35:37.000378Z","structure_string":"Ga3 Pt5\n1.0\n-0.000000 -0.000000 3.948000\n4.015500 3.720000 0.000000\n-4.015500 3.720000 -0.000000\nGa Pt\n3 5\ndirect\n0.000000 0.000000 0.000000 Ga\n0.500000 0.250000 0.750000 Ga\n0.500000 0.750000 0.250000 Ga\n0.000000 0.500000 0.500000 Pt\n0.000000 0.500000 0.000000 Pt\n0.000000 0.000000 0.500000 Pt\n0.500000 0.225000 0.225000 Pt\n0.500000 0.775000 0.775000 Pt\n","nsites":8,"nelements":2,"elements":["Ga","Pt"],"chemical_system":"Ga-Pt","density":16.67735153536384,"density_atomic":0.06782663589459013,"volume":117.94776336000001,"volume_molar":8.878725416013634,"formula_full":"Ga3 Pt5","formula_reduced":"Ga3Pt5","formula_anonymous":"A3B5","mineral_name":null,"aflow_id":"A3B5_oC16_65_ah_bej","pearson_symbol":"oC16","strukturbericht_symbol":"None","nsites_wyckoff":5,"spacegroup":65},{"id":223,"created_at":"2022-09-04T14:35:36.566431Z","updated_at":"2022-09-04T14:35:36.566456Z","structure_string":"Mn4 P4\n1.0\n0.000000 -3.180200 -0.000000\n-5.241600 0.000000 -0.000000\n0.000000 0.000000 -5.903200\nMn P\n4 4\ndirect\n0.750000 0.994400 0.804800 Mn\n0.750000 0.494400 0.695200 Mn\n0.250000 0.005600 0.195200 Mn\n0.250000 0.505600 0.304800 Mn\n0.750000 0.812100 0.430400 P\n0.750000 0.312100 0.069600 P\n0.250000 0.187900 0.569600 P\n0.250000 0.687900 0.930400 P\n","nsites":8,"nelements":2,"elements":["Mn","P"],"chemical_system":"Mn-P","density":5.799040424780339,"density_atomic":0.08129880849328638,"volume":98.402426164224,"volume_molar":7.4074157685807975,"formula_full":"Mn4 P4","formula_reduced":"MnP","formula_anonymous":"AB","mineral_name":null,"aflow_id":"AB_oP8_62_c_c","pearson_symbol":"oP8","strukturbericht_symbol":"B31","nsites_wyckoff":2,"spacegroup":62},{"id":194,"created_at":"2022-09-04T14:35:36.695852Z","updated_at":"2022-09-04T14:35:36.695873Z","structure_string":"Tl4 Se4\n1.0\n-4.015000 4.015000 -3.505000\n4.015000 -4.015000 -3.505000\n-4.015000 -4.015000 3.505000\nSe Tl\n4 4\ndirect\n0.750000 0.750000 0.000000 Se\n0.250000 0.250000 1.000000 Se\n0.750000 0.250000 0.500000 Se\n0.250000 0.750000 0.500000 Se\n0.821000 0.321000 0.142000 Tl\n0.321000 0.179000 0.500000 Tl\n0.679000 0.821000 0.500000 Tl\n0.179000 0.679000 0.858000 Tl\n","nsites":8,"nelements":2,"elements":["Se","Tl"],"chemical_system":"Se-Tl","density":8.32727531764028,"density_atomic":0.03539736011222681,"volume":226.00555449999996,"volume_molar":17.01296577176064,"formula_full":"Tl4 Se4","formula_reduced":"TlSe","formula_anonymous":"AB","mineral_name":"I4/mcm","aflow_id":"AB_tI16_140_ab_h","pearson_symbol":"tI16","strukturbericht_symbol":"B37","nsites_wyckoff":3,"spacegroup":140},{"id":273,"created_at":"2022-09-04T14:35:36.827688Z","updated_at":"2022-09-04T14:35:36.827726Z","structure_string":"Bi2 I6\n1.0\n-3.748130 -6.491952 -0.000000\n3.748130 -6.491952 -0.000000\n-0.000000 -4.327968 6.894077\nBi I\n2 6\ndirect\n0.666670 0.666670 0.999990 Bi\n0.333330 0.333330 0.000010 Bi\n0.912000 0.245000 0.264000 I\n0.579000 0.912000 0.264000 I\n0.245000 0.579000 0.264000 I\n0.088000 0.755000 0.736000 I\n0.421000 0.088000 0.736000 I\n0.755000 0.421000 0.736000 I\n","nsites":8,"nelements":2,"elements":["Bi","I"],"chemical_system":"Bi-I","density":5.837267436570668,"density_atomic":0.023844812730146183,"volume":335.5027397588186,"volume_molar":25.25555905241568,"formula_full":"Bi2 I6","formula_reduced":"BiI3","formula_anonymous":"AB3","mineral_name":"Bismuth triodide","aflow_id":"AB3_hR8_148_c_f","pearson_symbol":"hR8","strukturbericht_symbol":"D0_5","nsites_wyckoff":2,"spacegroup":148},{"id":186,"created_at":"2022-09-04T14:35:36.539737Z","updated_at":"2022-09-04T14:35:36.539759Z","structure_string":"Ba2 S6\n1.0\n-0.000000 -0.000000 4.168100\n6.871000 -0.000000 0.000000\n-0.000000 6.871000 0.000000\nBa S\n2 6\ndirect\n0.000000 0.000000 0.000000 Ba\n0.000000 0.500000 0.500000 Ba\n0.206000 1.000000 0.500000 S\n0.794000 0.500000 0.000000 S\n0.476000 0.179700 0.679700 S\n0.524000 0.679700 0.820300 S\n0.524000 0.320300 0.179700 S\n0.476000 0.820300 0.320300 S\n","nsites":8,"nelements":2,"elements":["Ba","S"],"chemical_system":"Ba-S","density":3.9412035713756164,"density_atomic":0.040654812272660906,"volume":196.77867275210002,"volume_molar":14.812860823489036,"formula_full":"Ba2 S6","formula_reduced":"BaS3","formula_anonymous":"AB3","mineral_name":"Barium trisulfide","aflow_id":"AB3_tP8_113_a_ce","pearson_symbol":"tP8","strukturbericht_symbol":"D0_17","nsites_wyckoff":3,"spacegroup":113},{"id":284,"created_at":"2022-09-04T14:35:37.052598Z","updated_at":"2022-09-04T14:35:37.052621Z","structure_string":"Si4 C4\n1.0\n-1.540255 -2.667800 -0.000000\n-1.540255 2.667800 0.000000\n0.000000 0.000000 -10.084800\nSi C\n4 4\ndirect\n0.000000 0.000000 0.000000 Si\n0.000000 0.000000 0.500000 Si\n0.666670 0.333340 0.750180 Si\n0.333340 0.666670 0.250180 Si\n0.000000 0.000000 0.812160 C\n0.000000 0.000000 0.312160 C\n0.666670 0.333340 0.563290 C\n0.333340 0.666670 0.063290 C\n","nsites":8,"nelements":2,"elements":["Si","C"],"chemical_system":"C-Si","density":3.213432068592485,"density_atomic":0.0965265548677903,"volume":82.8787478322144,"volume_molar":6.238843568226749,"formula_full":"Si4 C4","formula_reduced":"SiC","formula_anonymous":"AB","mineral_name":"Moissanite-4H","aflow_id":"AB_hP8_186_ab_ab","pearson_symbol":"hP8","strukturbericht_symbol":"B5","nsites_wyckoff":4,"spacegroup":186},{"id":74,"created_at":"2022-09-04T14:35:36.463203Z","updated_at":"2022-09-04T14:35:36.463219Z","structure_string":"Fe4 B4\n1.0\n-0.000000 2.946000 0.000000\n-0.000000 -0.000000 4.053000\n5.495000 -0.000000 0.000000\nFe B\n4 4\ndirect\n0.250000 0.125000 0.820000 Fe\n0.250000 0.375000 0.320000 Fe\n0.750000 0.875000 0.180000 Fe\n0.750000 0.625000 0.680000 Fe\n0.250000 0.690000 0.125000 B\n0.250000 0.810000 0.625000 B\n0.750000 0.310000 0.875000 B\n0.750000 0.190000 0.375000 B\n","nsites":8,"nelements":2,"elements":["Fe","B"],"chemical_system":"B-Fe","density":6.747941269310069,"density_atomic":0.12193066544059529,"volume":65.61105831,"volume_molar":4.938987856942346,"formula_full":"Fe4 B4","formula_reduced":"FeB","formula_anonymous":"AB","mineral_name":"Iron Boride","aflow_id":"AB_oP8_62_c_c","pearson_symbol":"oP8","strukturbericht_symbol":"B27","nsites_wyckoff":2,"spacegroup":62},{"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":261,"created_at":"2022-09-04T14:35:36.613485Z","updated_at":"2022-09-04T14:35:36.613510Z","structure_string":"B4 Mo4\n1.0\n3.108000 -0.000000 -0.000000\n-0.000000 3.108000 0.000000\n-1.554000 -1.554000 8.470000\nB Mo\n4 4\ndirect\n0.227000 0.477000 0.454000 B\n0.773000 0.523000 0.546000 B\n0.523000 0.773000 0.046000 B\n0.477000 0.227000 0.954000 B\n0.071000 0.321000 0.142000 Mo\n0.929000 0.679000 0.858000 Mo\n0.679000 0.929000 0.358000 Mo\n0.321000 0.071000 0.642000 Mo\n","nsites":8,"nelements":2,"elements":["B","Mo"],"chemical_system":"B-Mo","density":8.666337741760254,"density_atomic":0.0977787669860076,"volume":81.81735408000002,"volume_molar":6.158945286006506,"formula_full":"B4 Mo4","formula_reduced":"BMo","formula_anonymous":"AB","mineral_name":"delta Molybdenum Boride","aflow_id":"AB_tI16_141_e_e","pearson_symbol":"tI16","strukturbericht_symbol":"B_g","nsites_wyckoff":2,"spacegroup":141},{"id":60,"created_at":"2022-09-04T14:35:36.879491Z","updated_at":"2022-09-04T14:35:36.879514Z","structure_string":"Zr2 Cu2 Si2 As2\n1.0\n3.673600 0.000000 0.000000\n-0.000000 3.673600 0.000000\n0.000000 0.000000 9.571200\nZr Cu Si As\n2 2 2 2\ndirect\n0.250000 0.250000 0.224600 Zr\n0.750000 0.750000 0.775400 Zr\n0.750000 0.250000 0.500000 Cu\n0.250000 0.750000 0.500000 Cu\n0.750000 0.250000 0.000000 Si\n0.250000 0.750000 0.000000 Si\n0.250000 0.250000 0.679300 As\n0.750000 0.750000 0.320700 As\n","nsites":8,"nelements":4,"elements":["Zr","Cu","Si","As"],"chemical_system":"As-Cu-Si-Zr","density":6.627859638436002,"density_atomic":0.06193553064873132,"volume":129.16656911155198,"volume_molar":9.723240758450428,"formula_full":"Zr2 Cu2 Si2 As2","formula_reduced":"ZrCuSiAs","formula_anonymous":"ABCD","mineral_name":"Parent of FeAs superconductors","aflow_id":"ABCD_tP8_129_c_b_a_c","pearson_symbol":"tP8","strukturbericht_symbol":"None","nsites_wyckoff":4,"spacegroup":129},{"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},{"id":208,"created_at":"2022-09-04T14:35:37.074508Z","updated_at":"2022-09-04T14:35:37.074527Z","structure_string":"Si8\n1.0\n-2.059855 -2.059855 2.059855\n-2.059855 2.059855 -2.059855\n2.059855 -2.059855 -2.059855\nSi\n8\ndirect\n0.799800 0.799800 0.799800 Si\n0.000000 0.500000 0.700200 Si\n0.500000 0.700200 1.000000 Si\n0.700200 1.000000 0.500000 Si\n0.200200 0.200200 0.200200 Si\n1.000000 0.500000 0.299800 Si\n0.500000 0.299800 1.000000 Si\n0.299800 0.000000 0.500000 Si\n","nsites":8,"nelements":1,"elements":["Si"],"chemical_system":"Si","density":10.6721348197408,"density_atomic":0.22883373312344932,"volume":34.95988065572582,"volume_molar":2.6316665282697747,"formula_full":"Si8","formula_reduced":"Si","formula_anonymous":"A","mineral_name":"BC8","aflow_id":"A_cI16_206_c","pearson_symbol":"cI16","strukturbericht_symbol":"None","nsites_wyckoff":1,"spacegroup":206}]}