{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-updated_at&page=3464","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-updated_at&page=3462","results":[{"id":"jvasp-65708","created_at":"2022-09-04T14:36:20.135231Z","updated_at":"2022-09-04T14:36:20.135255Z","structure_string":"Ba2 Mo1 Pb1\n1.0\n0.000000 4.181462 4.181462\n4.181462 0.000000 4.181462\n4.181462 4.181462 -0.000000\nBa Mo Pb\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750000 Ba\n0.000000 0.000000 0.000000 Mo\n0.500000 0.500000 0.500000 Pb\n","nsites":4,"nelements":3,"elements":["Ba","Mo","Pb"],"chemical_system":"Ba-Mo-Pb","density":6.561568489067352,"density_atomic":0.027355555136397782,"volume":146.2225855061454,"volume_molar":22.014324805228586,"formula_full":"Ba2 Mo1 Pb1","formula_reduced":"Ba2MoPb","formula_anonymous":"ABC2","energy_above_hull":1.570694665,"spacegroup":225},{"id":"jvasp-91217","created_at":"2022-09-04T14:36:20.135150Z","updated_at":"2022-09-04T14:36:20.135177Z","structure_string":"Ce1 Ge3 Rh1\n1.0\n4.110033 0.000000 -1.650059\n-0.662451 4.056296 -1.650059\n-0.014491 -0.017050 5.907651\nCe Ge Rh\n1 3 1\ndirect\n0.575538 0.575539 0.151077 Ce\n0.842113 0.342114 0.684227 Ge\n0.342114 0.842114 0.684228 Ge\n0.001386 0.001386 0.002772 Ge\n0.240048 0.240048 0.480097 Rh\n","nsites":5,"nelements":3,"elements":["Ce","Ge","Rh"],"chemical_system":"Ce-Ge-Rh","density":7.789795690995104,"density_atomic":0.05088633390465547,"volume":98.25820837021553,"volume_molar":11.834495232616963,"formula_full":"Ce1 Ge3 Rh1","formula_reduced":"CeGe3Rh","formula_anonymous":"ABC3","energy_above_hull":1.46035927,"spacegroup":107},{"id":"jvasp-99367","created_at":"2022-09-04T14:36:20.129313Z","updated_at":"2022-09-04T14:36:20.129324Z","structure_string":"La4 Mg2 Ti2 O12\n1.0\n5.576464 0.000000 -0.006718\n0.000000 5.616638 0.000000\n-0.001021 0.000000 7.892708\nLa Mg Ti O\n4 2 2 12\ndirect\n0.993156 0.035550 0.249120 La\n0.006843 0.964451 0.750880 La\n0.493157 0.464450 0.749120 La\n0.506843 0.535550 0.250880 La\n0.500000 0.000000 0.500000 Mg\n0.000000 0.500000 0.000000 Mg\n0.000000 0.500000 0.500000 Ti\n0.500000 0.000000 -0.000000 Ti\n0.720212 0.293277 0.458886 O\n0.779787 0.793277 0.041113 O\n0.920912 0.518425 0.743575 O\n0.206129 0.218640 0.542972 O\n0.293870 0.718640 0.957029 O\n0.793870 0.781361 0.457028 O\n0.706129 0.281360 0.042971 O\n0.420913 0.981575 0.243574 O\n0.079087 0.481575 0.256426 O\n0.579087 0.018425 0.756426 O\n0.220213 0.206723 0.958887 O\n0.279787 0.706723 0.541114 O\n","nsites":20,"nelements":4,"elements":["La","Mg","Ti","O"],"chemical_system":"La-Mg-O-Ti","density":5.991458129385323,"density_atomic":0.08090375716792995,"volume":247.20730779519286,"volume_molar":7.4435860222164845,"formula_full":"La4 Mg2 Ti2 O12","formula_reduced":"La2MgTiO6","formula_anonymous":"ABC2D6","energy_above_hull":2.186122838333333,"spacegroup":14},{"id":"jvasp-14594","created_at":"2022-09-04T14:36:20.127190Z","updated_at":"2022-09-04T14:36:20.127217Z","structure_string":"U1\n1.0\n2.818001 -0.000000 -0.996313\n-1.409000 2.440460 -0.996313\n0.000000 0.000000 2.988940\nU\n1\ndirect\n0.000000 0.000000 0.000000 U\n","nsites":1,"nelements":1,"elements":["U"],"chemical_system":"U","density":19.22864898396718,"density_atomic":0.04864855737317728,"volume":20.555594122331712,"volume_molar":12.378868121011022,"formula_full":"U1","formula_reduced":"U","formula_anonymous":"A","energy_above_hull":0.2473700000000001,"spacegroup":229},{"id":"jvasp-18407","created_at":"2022-09-04T14:36:20.125924Z","updated_at":"2022-09-04T14:36:20.125949Z","structure_string":"U2 H6\n1.0\n4.138142 0.000000 -0.000000\n0.000000 4.138142 -0.000000\n-0.000000 -0.000000 4.138142\nU H\n2 6\ndirect\n0.500000 0.500000 0.500000 U\n0.000000 0.000000 0.000000 U\n0.500000 0.250000 0.000000 H\n0.500000 0.750000 0.000000 H\n0.250000 0.000000 0.500000 H\n0.750000 0.000000 0.500000 H\n0.000000 0.500000 0.250000 H\n0.000000 0.500000 0.750000 H\n","nsites":8,"nelements":2,"elements":["U","H"],"chemical_system":"H-U","density":11.297308266955824,"density_atomic":0.11289476890177633,"volume":70.86245073906277,"volume_molar":5.334295661865025,"formula_full":"U2 H6","formula_reduced":"UH3","formula_anonymous":"AB3","energy_above_hull":3.343094,"spacegroup":223},{"id":"jvasp-4615","created_at":"2022-09-04T14:36:20.121562Z","updated_at":"2022-09-04T14:36:20.121578Z","structure_string":"Cu2 Ag2 S2\n1.0\n3.949746 -0.081747 0.000000\n-1.862850 3.483815 0.000000\n0.000000 0.000000 8.241117\nCu Ag S\n2 2 2\ndirect\n0.467775 0.532226 0.750986 Cu\n0.532226 0.467774 0.250986 Cu\n0.000073 -0.000073 0.000990 Ag\n-0.000073 0.000073 0.500990 Ag\n0.193141 0.806860 0.251024 S\n0.806860 0.193140 0.751024 S\n","nsites":6,"nelements":3,"elements":["Cu","Ag","S"],"chemical_system":"Ag-Cu-S","density":6.025899204890619,"density_atomic":0.053502490519862514,"volume":112.14431219370118,"volume_molar":11.255813891064216,"formula_full":"Cu2 Ag2 S2","formula_reduced":"CuAgS","formula_anonymous":"ABC","energy_above_hull":0.3115659033333333,"spacegroup":63},{"id":"jvasp-88438","created_at":"2022-09-04T14:36:20.119424Z","updated_at":"2022-09-04T14:36:20.119449Z","structure_string":"La3 Ga1 Br3\n1.0\n6.108451 0.000000 -0.000000\n0.000000 6.108451 0.000000\n-0.000000 0.000000 6.108451\nLa Ga Br\n3 1 3\ndirect\n0.000000 0.500000 0.500000 La\n0.500000 0.000000 0.500000 La\n0.500000 0.500000 0.000000 La\n0.500000 0.500000 0.500000 Ga\n0.000000 0.000000 0.500000 Br\n0.500000 0.000000 0.000000 Br\n0.000000 0.500000 0.000000 Br\n","nsites":7,"nelements":3,"elements":["La","Ga","Br"],"chemical_system":"Br-Ga-La","density":5.290332872271918,"density_atomic":0.030711763631444993,"volume":227.92569270860363,"volume_molar":19.60858006159595,"formula_full":"La3 Ga1 Br3","formula_reduced":"La3GaBr3","formula_anonymous":"AB3C3","energy_above_hull":0.6010313771428573,"spacegroup":221},{"id":"jvasp-64232","created_at":"2022-09-04T14:36:20.118143Z","updated_at":"2022-09-04T14:36:20.118167Z","structure_string":"Ba4 Cd1 Te1\n1.0\n-0.000000 5.059527 5.059527\n5.059527 0.000000 5.059527\n5.059527 5.059527 0.000000\nBa Cd Te\n4 1 1\ndirect\n0.121440 0.626187 0.626187 Ba\n0.626187 0.626187 0.626187 Ba\n0.626187 0.121440 0.626187 Ba\n0.626187 0.626187 0.121440 Ba\n0.250000 0.250000 0.250000 Cd\n0.000000 0.000000 0.000000 Te\n","nsites":6,"nelements":3,"elements":["Ba","Cd","Te"],"chemical_system":"Ba-Cd-Te","density":5.059899666701232,"density_atomic":0.023162823675762657,"volume":259.0357757754008,"volume_molar":25.99916505992103,"formula_full":"Ba4 Cd1 Te1","formula_reduced":"Ba4CdTe","formula_anonymous":"ABC4","energy_above_hull":0.0271536566666666,"spacegroup":216},{"id":"jvasp-105989","created_at":"2022-09-04T14:36:20.114683Z","updated_at":"2022-09-04T14:36:20.114694Z","structure_string":"Ta2 Zn1 S4\n1.0\n3.402930 -0.000000 0.000000\n-1.701465 2.947024 -0.000000\n0.000000 -0.000000 12.367526\nTa Zn S\n2 1 4\ndirect\n0.000000 0.000000 0.241206 Ta\n0.000000 0.000000 0.758794 Ta\n0.000000 0.000000 0.500000 Zn\n0.333334 0.666666 0.370609 S\n0.666667 0.333333 0.629391 S\n0.666667 0.333333 0.881575 S\n0.333334 0.666666 0.118425 S\n","nsites":7,"nelements":3,"elements":["Ta","Zn","S"],"chemical_system":"S-Ta-Zn","density":7.438138614271586,"density_atomic":0.05643889727654821,"volume":124.02793707503348,"volume_molar":10.67019564626106,"formula_full":"Ta2 Zn1 S4","formula_reduced":"Ta2ZnS4","formula_anonymous":"AB2C4","energy_above_hull":3.035349828571428,"spacegroup":164},{"id":"jvasp-98199","created_at":"2022-09-04T14:36:20.105325Z","updated_at":"2022-09-04T14:36:20.105360Z","structure_string":"Sr12 Ga8 N16\n1.0\n5.977340 -0.000000 0.000000\n0.000000 9.528925 0.000000\n0.000000 0.000000 10.318592\nSr Ga N\n12 8 16\ndirect\n0.890417 0.087153 0.654749 Sr\n0.250000 0.596635 0.500000 Sr\n0.250000 0.903364 0.000000 Sr\n0.750000 0.096635 0.000000 Sr\n0.390417 0.587153 0.845251 Sr\n0.750000 0.403365 0.500000 Sr\n0.109583 0.587153 0.154749 Sr\n0.109583 0.912846 0.345251 Sr\n0.609583 0.412847 0.154749 Sr\n0.609583 0.087153 0.345251 Sr\n0.390417 0.912846 0.654749 Sr\n0.890417 0.412847 0.845251 Sr\n0.158575 0.250000 0.250000 Ga\n0.250000 0.270615 0.500000 Ga\n0.750000 0.770615 0.000000 Ga\n0.750000 0.729384 0.500000 Ga\n0.250000 0.229384 0.000000 Ga\n0.341425 0.250000 0.750000 Ga\n0.658575 0.750000 0.250000 Ga\n0.841425 0.750000 0.750000 Ga\n0.875001 0.622639 0.352639 N\n0.495121 0.331948 0.905481 N\n0.004879 0.168052 0.405482 N\n0.004879 0.331948 0.094518 N\n0.504879 0.831948 0.405482 N\n0.504879 0.668051 0.094518 N\n0.995121 0.831948 0.594518 N\n0.995121 0.668051 0.905481 N\n0.124999 0.122639 0.852639 N\n0.375001 0.377361 0.352639 N\n0.375001 0.122639 0.147361 N\n0.875001 0.877360 0.147361 N\n0.624999 0.622639 0.647361 N\n0.624999 0.877360 0.852639 N\n0.124999 0.377361 0.647361 N\n0.495121 0.168052 0.594518 N\n","nsites":36,"nelements":3,"elements":["Sr","Ga","N"],"chemical_system":"Ga-N-Sr","density":5.179856370958122,"density_atomic":0.06125339878347186,"volume":587.7224891186603,"volume_molar":9.831520992472614,"formula_full":"Sr12 Ga8 N16","formula_reduced":"Sr3(GaN2)2","formula_anonymous":"A2B3C4","energy_above_hull":2.2835862866666665,"spacegroup":52},{"id":"jvasp-69201","created_at":"2022-09-04T14:36:20.103694Z","updated_at":"2022-09-04T14:36:20.103738Z","structure_string":"Ba2 Na1 Ga1\n1.0\n0.000000 4.229965 4.229965\n4.229965 -0.000000 4.229965\n4.229965 4.229965 0.000000\nBa Na Ga\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750001 0.750001 0.750001 Ba\n0.500001 0.500001 0.500001 Na\n0.000000 0.000000 0.000000 Ga\n","nsites":4,"nelements":3,"elements":["Ba","Na","Ga"],"chemical_system":"Ba-Ga-Na","density":4.030033433111863,"density_atomic":0.02642528463601451,"volume":151.37017652209042,"volume_molar":22.789312747051895,"formula_full":"Ba2 Na1 Ga1","formula_reduced":"Ba2NaGa","formula_anonymous":"ABC2","energy_above_hull":0.0,"spacegroup":225},{"id":"jvasp-62390","created_at":"2022-09-04T14:36:20.101564Z","updated_at":"2022-09-04T14:36:20.101598Z","structure_string":"B1 As1 O4\n1.0\n-2.250323 2.250323 3.435297\n2.250323 -2.250323 3.435297\n2.250323 2.250323 -3.435297\nB As O\n1 1 4\ndirect\n0.750000 0.250000 0.499999 B\n0.000000 0.000000 0.000000 As\n0.411689 0.297190 0.442317 O\n0.854873 0.969373 0.557682 O\n0.702810 0.145128 0.114499 O\n0.030627 0.588310 0.885500 O\n","nsites":6,"nelements":3,"elements":["B","As","O"],"chemical_system":"As-B-O","density":3.5730945018717923,"density_atomic":0.08622580366481872,"volume":69.58473850036239,"volume_molar":6.98415149994956,"formula_full":"B1 As1 O4","formula_reduced":"BAsO4","formula_anonymous":"ABC4","energy_above_hull":2.748828055555556,"spacegroup":82}]}