{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-formula_reduced&page=3517","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-formula_reduced&page=3515","results":[{"id":"jvasp-25614","created_at":"2022-09-04T14:37:49.471076Z","updated_at":"2022-09-04T14:37:49.471101Z","structure_string":"Cs2 Ni2 F6\n1.0\n3.098113 -5.366088 0.000000\n3.098113 5.366088 -0.000000\n-0.000000 0.000000 5.226567\nCs Ni F\n2 2 6\ndirect\n0.333333 0.666667 0.250000 Cs\n0.666667 0.333333 0.750000 Cs\n0.000000 0.000000 0.000000 Ni\n0.000000 0.000000 0.500000 Ni\n0.145050 0.290100 0.750000 F\n0.290100 0.145050 0.250000 F\n0.709899 0.854949 0.750000 F\n0.854949 0.145050 0.250000 F\n0.854949 0.709899 0.250000 F\n0.145050 0.854949 0.750000 F\n","nsites":10,"nelements":3,"elements":["Cs","Ni","F"],"chemical_system":"Cs-F-Ni","density":4.750816768350899,"density_atomic":0.05754378672851858,"volume":173.78070802288758,"volume_molar":10.465318850862904,"formula_full":"Cs2 Ni2 F6","formula_reduced":"CsNiF3","formula_anonymous":"ABC3","energy_above_hull":0.0,"spacegroup":194},{"id":"jvasp-22597","created_at":"2022-09-04T14:35:58.128675Z","updated_at":"2022-09-04T14:35:58.128718Z","structure_string":"Cs2 Ni2 F6\n1.0\n6.195165 0.000000 -0.000000\n-3.097583 5.365170 0.000000\n-0.000000 0.000000 5.226363\nCs Ni F\n2 2 6\ndirect\n0.333334 0.666667 0.750000 Cs\n0.666668 0.333333 0.250000 Cs\n0.000000 0.000000 0.000000 Ni\n0.000000 0.000000 0.500000 Ni\n0.709853 0.854926 0.250000 F\n0.854927 0.709852 0.750000 F\n0.145074 0.290148 0.250000 F\n0.854927 0.145074 0.750000 F\n0.290148 0.145074 0.750000 F\n0.145074 0.854926 0.250000 F\n","nsites":10,"nelements":3,"elements":["Cs","Ni","F"],"chemical_system":"Cs-F-Ni","density":4.752628928242214,"density_atomic":0.057565736331584405,"volume":173.71444607950463,"volume_molar":10.46132846336207,"formula_full":"Cs2 Ni2 F6","formula_reduced":"CsNiF3","formula_anonymous":"ABC3","energy_above_hull":0.0006039999999999,"spacegroup":194},{"id":"jvasp-32689","created_at":"2022-09-04T14:36:46.186243Z","updated_at":"2022-09-04T14:36:46.186267Z","structure_string":"C4 S4 N4 F20\n1.0\n5.874457 -0.000000 0.000000\n-0.000000 7.751324 0.000000\n0.000000 0.000000 9.687529\nC S N F\n4 4 4 20\ndirect\n0.750000 0.552080 0.045733 C\n0.250000 0.447920 0.954267 C\n0.250000 0.052080 0.454267 C\n0.750000 0.947919 0.545733 C\n0.250000 0.582713 0.678995 S\n0.750000 0.417286 0.321005 S\n0.250000 0.917286 0.178995 S\n0.750000 0.082713 0.821005 S\n0.250000 0.502581 0.840262 N\n0.750000 0.497418 0.159739 N\n0.250000 -0.002581 0.340261 N\n0.750000 0.002581 0.659739 N\n0.521838 0.584139 0.678160 F\n0.250000 0.775214 0.738547 F\n0.978163 0.915860 0.178160 F\n0.021838 0.415860 0.321840 F\n0.978163 0.584139 0.678160 F\n0.250000 0.724785 0.238547 F\n0.478162 0.084140 0.821840 F\n0.021838 0.084140 0.821840 F\n0.250000 0.391332 0.617760 F\n0.750000 0.891331 0.882240 F\n0.750000 0.224785 0.261453 F\n0.250000 0.658171 0.525494 F\n0.250000 0.841828 0.025494 F\n0.750000 0.275214 0.761454 F\n0.750000 0.608668 0.382240 F\n0.250000 0.108668 0.117760 F\n0.521838 0.915860 0.178160 F\n0.750000 0.158172 0.974506 F\n0.750000 0.341828 0.474506 F\n0.478162 0.415860 0.321840 F\n","nsites":32,"nelements":4,"elements":["C","S","N","F"],"chemical_system":"C-F-N-S","density":2.304915798824712,"density_atomic":0.07254263774694823,"volume":441.1198847169876,"volume_molar":8.3015188681271,"formula_full":"C4 S4 N4 F20","formula_reduced":"CSNF5","formula_anonymous":"ABCD5","energy_above_hull":1.6876755828125,"spacegroup":62},{"id":"jvasp-102311","created_at":"2022-09-04T14:37:12.537894Z","updated_at":"2022-09-04T14:37:12.537922Z","structure_string":"C2 S2 N6\n1.0\n5.407152 0.052340 1.704513\n0.808639 5.407389 1.042927\n0.692336 0.205407 6.634151\nC S N\n2 2 6\ndirect\n0.437738 0.285171 0.132755 C\n0.562263 0.714830 0.867245 C\n0.643198 0.348907 0.214761 S\n0.356803 0.651094 0.785238 S\n0.889964 0.208590 0.634584 N\n0.110037 0.791411 0.365415 N\n-0.045225 0.756127 0.318123 N\n0.045226 0.243873 0.681877 N\n0.294439 0.288445 0.038955 N\n0.705561 0.711556 -0.038955 N\n","nsites":10,"nelements":3,"elements":["C","S","N"],"chemical_system":"C-N-S","density":1.5333579787928322,"density_atomic":0.05362687603199365,"volume":186.47366283342754,"volume_molar":11.22970645615681,"formula_full":"C2 S2 N6","formula_reduced":"CSN3","formula_anonymous":"ABC3","energy_above_hull":5.06011595,"spacegroup":2},{"id":"jvasp-117915","created_at":"2022-09-04T14:38:50.306224Z","updated_at":"2022-09-04T14:38:50.306248Z","structure_string":"C1 S1 N2\n1.0\n3.488008 -0.000000 -0.000000\n-0.000000 3.488008 0.000000\n0.000000 0.000000 4.668256\nC S N\n1 1 2\ndirect\n0.000000 0.000000 -0.118736 C\n0.500000 0.500000 0.090386 S\n0.000000 0.000000 0.628177 N\n0.500000 0.500000 0.400174 N\n","nsites":4,"nelements":3,"elements":["C","S","N"],"chemical_system":"C-N-S","density":2.107701440218091,"density_atomic":0.07042881521580631,"volume":56.79493525119363,"volume_molar":8.550677363444349,"formula_full":"C1 S1 N2","formula_reduced":"CSN2","formula_anonymous":"ABC2","energy_above_hull":4.841459125,"spacegroup":99},{"id":"jvasp-117913","created_at":"2022-09-04T14:38:29.434387Z","updated_at":"2022-09-04T14:38:29.434419Z","structure_string":"C1 S1 N1\n1.0\n6.477130 -0.000000 0.000000\n-0.000000 6.477130 0.000000\n0.000000 0.000000 4.762595\nC S N\n1 1 1\ndirect\n-0.091979 -0.070757 0.000000 C\n-0.017897 0.292438 0.000000 S\n0.261240 -0.023433 0.000000 N\n","nsites":3,"nelements":3,"elements":["C","S","N"],"chemical_system":"C-N-S","density":0.4827083059194001,"density_atomic":0.015014551905253628,"volume":199.80616264347475,"volume_molar":40.10869453848196,"formula_full":"C1 S1 N1","formula_reduced":"CSN","formula_anonymous":"ABC","energy_above_hull":5.270844416666666,"spacegroup":6},{"id":"jvasp-117914","created_at":"2022-09-04T14:38:29.471806Z","updated_at":"2022-09-04T14:38:29.471823Z","structure_string":"C1 S1 N1\n1.0\n2.965154 -0.000000 -0.000000\n-0.000000 2.965154 -0.000000\n0.000000 -0.000000 5.745977\nC S N\n1 1 1\ndirect\n0.000000 0.000000 0.014331 C\n0.000000 0.000000 0.727032 S\n0.000000 0.000000 0.218731 N\n","nsites":3,"nelements":3,"elements":["C","S","N"],"chemical_system":"C-N-S","density":1.9091289329665446,"density_atomic":0.05938309970293722,"volume":50.51942412921253,"volume_molar":10.141169440675275,"formula_full":"C1 S1 N1","formula_reduced":"CSN","formula_anonymous":"ABC","energy_above_hull":4.047707749999999,"spacegroup":99},{"id":"jvasp-22672","created_at":"2022-09-04T14:36:02.680945Z","updated_at":"2022-09-04T14:36:02.680955Z","structure_string":"Cs1 K2 Sb1\n1.0\n5.256049 -0.000000 3.034580\n1.752017 4.955451 3.034580\n0.000000 0.000000 6.069162\nCs K Sb\n1 2 1\ndirect\n0.500000 0.500000 0.500000 Cs\n0.750001 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.000000 0.000000 0.000000 Sb\n","nsites":4,"nelements":3,"elements":["Cs","K","Sb"],"chemical_system":"Cs-K-Sb","density":3.4965686713795847,"density_atomic":0.02530397034223274,"volume":158.0779595415481,"volume_molar":23.799193085319693,"formula_full":"Cs1 K2 Sb1","formula_reduced":"CsK2Sb","formula_anonymous":"ABC2","energy_above_hull":0.0,"spacegroup":225},{"id":"jvasp-22732","created_at":"2022-09-04T14:36:12.049666Z","updated_at":"2022-09-04T14:36:12.049691Z","structure_string":"Cs1 K2 Bi1\n1.0\n-0.000000 4.369830 4.369830\n4.369830 0.000000 4.369830\n4.369830 4.369830 -0.000000\nCs K Bi\n1 2 1\ndirect\n0.750000 0.750000 0.750000 Cs\n0.500000 0.500000 0.500000 K\n0.000000 0.000000 0.000000 K\n0.250001 0.250001 0.250001 Bi\n","nsites":4,"nelements":3,"elements":["Cs","K","Bi"],"chemical_system":"Bi-Cs-K","density":4.179843450571394,"density_atomic":0.023968252431354472,"volume":166.88742791974823,"volume_molar":25.12548955017695,"formula_full":"Cs1 K2 Bi1","formula_reduced":"CsK2Bi","formula_anonymous":"ABC2","energy_above_hull":0.0,"spacegroup":225},{"id":"jvasp-123649","created_at":"2022-09-04T14:38:55.126421Z","updated_at":"2022-09-04T14:38:55.126455Z","structure_string":"C1 Se2\n1.0\n1.982340 -3.623590 0.296738\n2.146953 3.718629 0.000000\n0.336176 -0.194091 5.826912\nC Se\n1 2\ndirect\n0.000000 0.000038 0.166667 C\n0.699983 0.849973 0.424875 Se\n0.300017 0.149990 0.908458 Se\n","nsites":3,"nelements":2,"elements":["C","Se"],"chemical_system":"C-Se","density":3.2142047512237717,"density_atomic":0.03417227160840182,"volume":87.79047627791886,"volume_molar":17.622886851102276,"formula_full":"C1 Se2","formula_reduced":"CSe2","formula_anonymous":"AB2","energy_above_hull":2.8473855777777777,"spacegroup":12},{"id":"jvasp-22569","created_at":"2022-09-04T14:36:43.802047Z","updated_at":"2022-09-04T14:36:43.802075Z","structure_string":"Cs1 Cu3 O2\n1.0\n5.188472 0.000204 0.000109\n-2.594058 4.492728 -0.000722\n0.000129 -0.000819 5.455872\nCs Cu O\n1 3 2\ndirect\n0.000000 -0.000000 0.500000 Cs\n0.500000 0.500000 0.000000 Cu\n-0.000000 0.500000 0.000000 Cu\n0.500000 -0.000000 0.000000 Cu\n0.666670 0.333280 0.798507 O\n0.333329 0.666719 0.201493 O\n","nsites":6,"nelements":3,"elements":["Cs","Cu","O"],"chemical_system":"Cs-Cu-O","density":4.642123502988737,"density_atomic":0.04717670716305087,"volume":127.18140711395903,"volume_molar":12.765072261585443,"formula_full":"Cs1 Cu3 O2","formula_reduced":"CsCu3O2","formula_anonymous":"AB2C3","energy_above_hull":0.2955791583333336,"spacegroup":164},{"id":"jvasp-98527","created_at":"2022-09-04T14:36:22.118111Z","updated_at":"2022-09-04T14:36:22.118136Z","structure_string":"C4 S4 Cl8\n1.0\n5.920358 0.000000 0.000000\n0.000000 6.290294 -0.956849\n0.000000 -0.007342 9.236641\nC S Cl\n4 4 8\ndirect\n0.413824 0.670629 0.549963 C\n0.586176 0.329370 0.450037 C\n0.913824 0.329371 0.950037 C\n0.086176 0.670629 0.049963 C\n0.566397 0.582560 0.379171 S\n0.433603 0.417440 0.620829 S\n0.933603 0.582560 0.879171 S\n0.066397 0.417440 0.120829 S\n0.947971 0.884423 0.166595 Cl\n0.630010 0.247125 0.978297 Cl\n0.052029 0.115576 0.833405 Cl\n0.130010 0.752874 0.521703 Cl\n0.447971 0.115576 0.333405 Cl\n0.869991 0.247125 0.478297 Cl\n0.369990 0.752874 0.021703 Cl\n0.552029 0.884424 0.666595 Cl\n","nsites":16,"nelements":3,"elements":["C","S","Cl"],"chemical_system":"C-Cl-S","density":2.22053361309945,"density_atomic":0.04651998008384803,"volume":343.93823839050356,"volume_molar":12.945278027087802,"formula_full":"C4 S4 Cl8","formula_reduced":"CSCl2","formula_anonymous":"ABC2","energy_above_hull":2.04968453375,"spacegroup":14}]}