{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=formula_reduced&page=3464","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=formula_reduced&page=3462","results":[{"id":"jvasp-115116","created_at":"2022-09-04T14:38:43.223512Z","updated_at":"2022-09-04T14:38:43.223538Z","structure_string":"Sc2 I2 O2\n1.0\n3.452827 0.000000 0.000000\n0.000000 3.363355 0.000000\n0.000000 0.000000 11.547824\nSc I O\n2 2 2\ndirect\n0.000000 0.500001 0.652033 Sc\n0.500000 0.500001 0.992024 Sc\n0.500000 0.000000 0.193634 I\n0.500000 0.500001 0.466578 I\n0.000000 0.000000 -0.032785 O\n0.000000 0.000000 0.728516 O\n","nsites":6,"nelements":3,"elements":["Sc","I","O"],"chemical_system":"I-O-Sc","density":4.65227333237337,"density_atomic":0.04474078151207796,"volume":134.10583805694756,"volume_molar":13.460070558611717,"formula_full":"Sc2 I2 O2","formula_reduced":"ScIO","formula_anonymous":"ABC","energy_above_hull":0.8125616750000002,"spacegroup":25},{"id":"jvasp-115115","created_at":"2022-09-04T14:38:44.207303Z","updated_at":"2022-09-04T14:38:44.207325Z","structure_string":"Sc1 I1 O1\n1.0\n5.850469 0.000000 0.000000\n-0.000000 5.850469 -0.000000\n0.000000 -0.000000 8.049878\nSc I O\n1 1 1\ndirect\n0.000000 0.000000 -0.010529 Sc\n0.000000 0.000000 0.332456 I\n0.000000 0.000000 0.778727 O\n","nsites":3,"nelements":3,"elements":["Sc","I","O"],"chemical_system":"I-O-Sc","density":1.132171577718382,"density_atomic":0.010888062152410402,"volume":275.53112372120864,"volume_molar":55.30957369366978,"formula_full":"Sc1 I1 O1","formula_reduced":"ScIO","formula_anonymous":"ABC","energy_above_hull":1.1246883416666669,"spacegroup":99},{"id":"jvasp-115114","created_at":"2022-09-04T14:38:41.741143Z","updated_at":"2022-09-04T14:38:41.741173Z","structure_string":"Sc1 I1 O1\n1.0\n4.680939 -0.000000 0.000000\n-2.340469 4.053812 0.000000\n-0.000000 -0.000000 4.077034\nSc I O\n1 1 1\ndirect\n0.666668 0.333333 0.000000 Sc\n0.000000 0.000000 0.000000 I\n0.333334 0.666666 0.000000 O\n","nsites":3,"nelements":3,"elements":["Sc","I","O"],"chemical_system":"I-O-Sc","density":4.032199326144752,"density_atomic":0.038777547271100866,"volume":77.36435672494848,"volume_molar":15.529968200149746,"formula_full":"Sc1 I1 O1","formula_reduced":"ScIO","formula_anonymous":"ABC","energy_above_hull":1.1979583416666668,"spacegroup":187},{"id":"jvasp-115117","created_at":"2022-09-04T14:38:45.193642Z","updated_at":"2022-09-04T14:38:45.193679Z","structure_string":"Sc1 I1 O2\n1.0\n3.082854 -0.000000 0.000000\n0.000000 3.082854 0.000000\n-0.000000 0.000000 7.166574\nSc I O\n1 1 2\ndirect\n0.500000 0.500000 0.576839 Sc\n0.000000 0.000000 0.060431 I\n0.000000 0.000000 0.534042 O\n0.500000 0.500000 0.838687 O\n","nsites":4,"nelements":3,"elements":["Sc","I","O"],"chemical_system":"I-O-Sc","density":4.970062726075756,"density_atomic":0.05872763157226999,"volume":68.11103892513724,"volume_molar":10.25435659292539,"formula_full":"Sc1 I1 O2","formula_reduced":"ScIO2","formula_anonymous":"ABC2","energy_above_hull":1.3341571312500002,"spacegroup":99},{"id":"jvasp-12099","created_at":"2022-09-04T14:37:17.112256Z","updated_at":"2022-09-04T14:37:17.112265Z","structure_string":"Sc2 I6 O18\n1.0\n7.289880 -0.000774 0.796029\n0.713754 7.254854 0.796031\n-0.000854 -0.000775 7.333212\nSc I O\n2 6 18\ndirect\n0.175381 0.175381 0.175381 Sc\n0.824619 0.824619 0.824619 Sc\n0.413616 0.713191 0.127434 I\n0.713191 0.127434 0.413616 I\n0.586384 0.286809 0.872566 I\n0.872566 0.586384 0.286809 I\n0.286809 0.872566 0.586383 I\n0.127434 0.413616 0.713191 I\n0.422889 0.295482 0.083422 O\n0.704518 0.916577 0.577111 O\n0.916578 0.577111 0.704518 O\n0.577111 0.704517 0.916577 O\n0.065555 0.943867 0.711653 O\n0.211155 0.722123 0.428669 O\n0.934445 0.056133 0.288346 O\n0.056133 0.288346 0.934444 O\n0.288346 0.934444 0.056132 O\n0.083422 0.422888 0.295482 O\n0.295482 0.083422 0.422889 O\n0.571330 0.788845 0.277877 O\n0.277877 0.571330 0.788845 O\n0.788845 0.277877 0.571330 O\n0.428670 0.211155 0.722123 O\n0.722123 0.428669 0.211155 O\n0.711654 0.065555 0.943867 O\n0.943867 0.711654 0.065555 O\n","nsites":26,"nelements":3,"elements":["Sc","I","O"],"chemical_system":"I-O-Sc","density":4.8779788087670575,"density_atomic":0.06703713549740513,"volume":387.8447342220702,"volume_molar":8.983290701961907,"formula_full":"Sc2 I6 O18","formula_reduced":"Sc(IO3)3","formula_anonymous":"AB3C9","energy_above_hull":2.124294275,"spacegroup":148},{"id":"jvasp-59073","created_at":"2022-09-04T14:36:57.420249Z","updated_at":"2022-09-04T14:36:57.420266Z","structure_string":"Sc2 I6 O18\n1.0\n7.289681 -0.001140 0.795601\n0.713371 7.254691 0.795603\n-0.001258 -0.001141 7.332968\nSc I O\n2 6 18\ndirect\n0.175394 0.175394 0.175394 Sc\n0.824605 0.824606 0.824605 Sc\n0.413600 0.713193 0.127414 I\n0.713193 0.127414 0.413600 I\n0.586399 0.286807 0.872586 I\n0.872586 0.586399 0.286806 I\n0.286806 0.872586 0.586399 I\n0.127414 0.413601 0.713193 I\n0.422908 0.295507 0.083436 O\n0.704492 0.916564 0.577092 O\n0.916563 0.577092 0.704492 O\n0.577092 0.704493 0.916563 O\n0.065536 0.943895 0.711619 O\n0.211164 0.722137 0.428653 O\n0.934464 0.056105 0.288381 O\n0.056104 0.288381 0.934464 O\n0.288381 0.934464 0.056104 O\n0.083436 0.422908 0.295507 O\n0.295507 0.083436 0.422908 O\n0.571346 0.788836 0.277862 O\n0.277862 0.571346 0.788836 O\n0.788836 0.277863 0.571346 O\n0.428653 0.211164 0.722138 O\n0.722137 0.428654 0.211163 O\n0.711618 0.065536 0.943896 O\n0.943895 0.711619 0.065535 O\n","nsites":26,"nelements":3,"elements":["Sc","I","O"],"chemical_system":"I-O-Sc","density":4.8783064586521565,"density_atomic":0.06704163832749196,"volume":387.81868475517405,"volume_molar":8.98268734212971,"formula_full":"Sc2 I6 O18","formula_reduced":"Sc(IO3)3","formula_anonymous":"AB3C9","energy_above_hull":2.124294275,"spacegroup":148},{"id":"jvasp-20091","created_at":"2022-09-04T14:35:59.918166Z","updated_at":"2022-09-04T14:35:59.918192Z","structure_string":"Sc1 Ir1\n1.0\n3.223278 -0.000000 -0.000000\n-0.000000 3.223278 -0.000000\n0.000000 -0.000000 3.223278\nSc Ir\n1 1\ndirect\n0.500000 0.500000 0.500000 Sc\n0.000000 0.000000 0.000000 Ir\n","nsites":2,"nelements":2,"elements":["Sc","Ir"],"chemical_system":"Ir-Sc","density":11.760367449824441,"density_atomic":0.05972232461069567,"volume":33.488314680266484,"volume_molar":10.083567240986957,"formula_full":"Sc1 Ir1","formula_reduced":"ScIr","formula_anonymous":"AB","energy_above_hull":1.837318175,"spacegroup":221},{"id":"jvasp-20641","created_at":"2022-09-04T14:38:08.993689Z","updated_at":"2022-09-04T14:38:08.993712Z","structure_string":"Sc2 Ir4\n1.0\n4.534842 -0.000000 2.618192\n1.511614 4.275489 2.618192\n-0.000000 0.000000 5.236384\nSc Ir\n2 4\ndirect\n0.125000 0.125000 0.125000 Sc\n0.874999 0.875000 0.874999 Sc\n-0.000000 0.500000 0.500000 Ir\n0.500000 0.000000 0.500000 Ir\n0.499999 0.500000 -0.000000 Ir\n0.499999 0.500000 0.500000 Ir\n","nsites":6,"nelements":2,"elements":["Sc","Ir"],"chemical_system":"Ir-Sc","density":14.045962004056033,"density_atomic":0.0590978674370453,"volume":101.52650611955788,"volume_molar":10.190115178716315,"formula_full":"Sc2 Ir4","formula_reduced":"ScIr2","formula_anonymous":"AB2","energy_above_hull":3.2451424833333324,"spacegroup":227},{"id":"jvasp-16783","created_at":"2022-09-04T14:38:30.793707Z","updated_at":"2022-09-04T14:38:30.793742Z","structure_string":"Sc1 Ir3\n1.0\n3.947296 0.000000 0.000000\n0.000000 3.947296 0.000000\n-0.000000 0.000000 3.947296\nSc Ir\n1 3\ndirect\n0.000000 0.000000 0.000000 Sc\n0.000000 0.500001 0.500001 Ir\n0.500001 0.500001 0.000000 Ir\n0.500001 0.000000 0.500001 Ir\n","nsites":4,"nelements":2,"elements":["Sc","Ir"],"chemical_system":"Ir-Sc","density":16.782855252616965,"density_atomic":0.06503706105564792,"volume":61.503394142878996,"volume_molar":9.259552418654422,"formula_full":"Sc1 Ir3","formula_reduced":"ScIr3","formula_anonymous":"AB3","energy_above_hull":3.9433546375,"spacegroup":221},{"id":"jvasp-54664","created_at":"2022-09-04T14:37:52.358244Z","updated_at":"2022-09-04T14:37:52.358274Z","structure_string":"Sc1 Ir3 C1\n1.0\n4.679077 0.000000 0.000000\n0.000000 4.679090 0.000000\n0.000000 0.000000 4.679152\nSc Ir C\n1 3 1\ndirect\n0.500000 0.500000 0.500000 Sc\n0.500000 0.500000 0.000000 Ir\n0.000000 0.500000 0.500000 Ir\n0.500000 0.000000 0.500000 Ir\n0.000000 0.000000 0.000000 C\n","nsites":5,"nelements":3,"elements":["Sc","Ir","C"],"chemical_system":"C-Ir-Sc","density":10.27040556715859,"density_atomic":0.04880690406778862,"volume":102.44452287027727,"volume_molar":12.338706736316977,"formula_full":"Sc1 Ir3 C1","formula_reduced":"ScIr3C","formula_anonymous":"ABC3","energy_above_hull":5.35593371,"spacegroup":221},{"id":"jvasp-113501","created_at":"2022-09-04T14:38:49.581808Z","updated_at":"2022-09-04T14:38:49.581829Z","structure_string":"S2 Cl2\n1.0\n3.568436 0.000000 0.000000\n0.000000 3.568436 0.000000\n0.000000 0.000000 7.174891\nS Cl\n2 2\ndirect\n0.000000 0.000000 0.250047 S\n0.500001 0.500001 0.749953 S\n0.000000 0.000000 0.750199 Cl\n0.500001 0.500001 0.249801 Cl\n","nsites":4,"nelements":2,"elements":["S","Cl"],"chemical_system":"Cl-S","density":2.454299339552932,"density_atomic":0.043781320818360996,"volume":91.36316413557083,"volume_molar":13.75504586758478,"formula_full":"S2 Cl2","formula_reduced":"SCl","formula_anonymous":"AB","energy_above_hull":0.95864703375,"spacegroup":139},{"id":"jvasp-13792","created_at":"2022-09-04T14:38:06.430530Z","updated_at":"2022-09-04T14:38:06.430546Z","structure_string":"S8 Cl8\n1.0\n4.577579 0.000000 1.019962\n2.288789 8.516182 0.509981\n-0.032886 -0.000000 10.929631\nS Cl\n8 8\ndirect\n0.381581 0.355771 0.867534 S\n0.604887 0.644228 0.132466 S\n0.487352 0.144228 0.367534 S\n-0.000884 0.855771 0.632466 S\n0.527470 0.539043 0.816273 S\n0.882787 0.460956 0.183727 S\n0.816514 0.960956 0.316273 S\n0.093744 0.039044 0.683727 S\n0.631252 0.230747 0.000052 Cl\n0.862053 0.769253 -0.000053 Cl\n0.612000 0.269253 0.500052 Cl\n0.381305 0.730747 0.499947 Cl\n0.918466 0.467977 0.670059 Cl\n0.056502 0.532023 0.329941 Cl\n0.136443 0.032023 0.170059 Cl\n0.338525 0.967977 0.829941 Cl\n","nsites":16,"nelements":2,"elements":["S","Cl"],"chemical_system":"Cl-S","density":2.1036878804433305,"density_atomic":0.03752689515540692,"volume":426.3608788774176,"volume_molar":16.047532669731996,"formula_full":"S8 Cl8","formula_reduced":"SCl","formula_anonymous":"AB","energy_above_hull":0.58377203375,"spacegroup":43}]}