{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=formula_anonymous&page=3597","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=formula_anonymous&page=3595","results":[{"id":"jvasp-120867","created_at":"2022-09-04T14:38:53.851262Z","updated_at":"2022-09-04T14:38:53.851289Z","structure_string":"Ba1 Ti1 O2\n1.0\n3.162320 -0.000000 0.000000\n-0.000000 3.162320 -0.000000\n0.000000 0.000000 6.338419\nBa Ti O\n1 1 2\ndirect\n0.000000 0.000000 0.317644 Ba\n0.499999 0.499999 0.808325 Ti\n0.000000 0.000000 0.775122 O\n0.499999 0.499999 0.098910 O\n","nsites":4,"nelements":3,"elements":["Ba","Ti","O"],"chemical_system":"Ba-O-Ti","density":5.68986480508283,"density_atomic":0.06310552978444972,"volume":63.38588731705202,"volume_molar":9.54296839051965,"formula_full":"Ba1 Ti1 O2","formula_reduced":"BaTiO2","formula_anonymous":"ABC2","energy_above_hull":1.5398128258333337,"spacegroup":99},{"id":"jvasp-117645","created_at":"2022-09-04T14:38:50.160465Z","updated_at":"2022-09-04T14:38:50.160493Z","structure_string":"Na2 Ag1 As1\n1.0\n-1.587486 2.574640 5.637510\n1.587486 -2.574640 5.637510\n1.587486 2.574640 -5.637510\nNa Ag As\n2 1 1\ndirect\n0.751018 0.751018 0.000000 Na\n0.248981 0.248981 0.000000 Na\n0.500000 0.500000 0.000000 Ag\n0.000000 0.000000 0.000000 As\n","nsites":4,"nelements":3,"elements":["Na","Ag","As"],"chemical_system":"Ag-As-Na","density":4.121669658379351,"density_atomic":0.043399653141977884,"volume":92.1666352243502,"volume_molar":13.876011267415276,"formula_full":"Na2 Ag1 As1","formula_reduced":"Na2AgAs","formula_anonymous":"ABC2","energy_above_hull":0.1926392525,"spacegroup":71},{"id":"jvasp-117812","created_at":"2022-09-04T14:38:53.693832Z","updated_at":"2022-09-04T14:38:53.693854Z","structure_string":"Rb1 In1 Br2\n1.0\n4.760562 0.000000 0.000000\n0.000000 4.760562 0.000000\n0.000000 -0.000000 6.717193\nRb In Br\n1 1 2\ndirect\n0.500000 0.500000 0.504572 Rb\n0.000000 0.000000 0.003887 In\n0.000000 0.000000 0.496824 Br\n0.500000 0.500000 0.004715 Br\n","nsites":4,"nelements":3,"elements":["Rb","In","Br"],"chemical_system":"Br-In-Rb","density":3.927900368343589,"density_atomic":0.026275785828687292,"volume":152.23141283306143,"volume_molar":22.91897490435916,"formula_full":"Rb1 In1 Br2","formula_reduced":"RbInBr2","formula_anonymous":"ABC2","energy_above_hull":0.0,"spacegroup":99},{"id":"jvasp-118885","created_at":"2022-09-04T14:38:53.699769Z","updated_at":"2022-09-04T14:38:53.699796Z","structure_string":"In1 As1 Se2\n1.0\n2.466369 1.423959 4.934659\n-2.466369 1.423959 4.934659\n0.000000 -2.847918 4.934659\nIn As Se\n1 1 2\ndirect\n0.456276 0.456276 0.456276 In\n0.985885 0.985885 0.985885 As\n0.153312 0.153312 0.153312 Se\n0.655528 0.655528 0.655528 Se\n","nsites":4,"nelements":3,"elements":["In","As","Se"],"chemical_system":"As-In-Se","density":5.551871278557073,"density_atomic":0.038467685439925715,"volume":103.98338122647715,"volume_molar":15.65506396116467,"formula_full":"In1 As1 Se2","formula_reduced":"InAsSe2","formula_anonymous":"ABC2","energy_above_hull":1.1448646133333331,"spacegroup":160},{"id":"jvasp-117882","created_at":"2022-09-04T14:38:50.097255Z","updated_at":"2022-09-04T14:38:50.097271Z","structure_string":"Os1 C1 Cl2\n1.0\n2.958026 -0.000000 0.000000\n0.000000 2.958026 0.000000\n-0.000000 -0.000000 7.388347\nOs C Cl\n1 1 2\ndirect\n0.500001 0.500001 0.778746 Os\n0.000000 0.000000 0.695612 C\n0.000000 0.000000 0.450735 Cl\n0.500001 0.500001 0.084906 Cl\n","nsites":4,"nelements":3,"elements":["Os","C","Cl"],"chemical_system":"C-Cl-Os","density":7.016068123984585,"density_atomic":0.06187407695423097,"volume":64.64742905108467,"volume_molar":9.73289793794363,"formula_full":"Os1 C1 Cl2","formula_reduced":"OsCCl2","formula_anonymous":"ABC2","energy_above_hull":3.16868328375,"spacegroup":99},{"id":"jvasp-113651","created_at":"2022-09-04T14:38:50.723380Z","updated_at":"2022-09-04T14:38:50.723402Z","structure_string":"Al1 H1 O2\n1.0\n1.437132 0.829729 4.463063\n-1.437132 0.829729 4.463063\n0.000000 -1.659457 4.463063\nAl H O\n1 1 2\ndirect\n0.003875 0.003875 0.003875 Al\n0.514036 0.514036 0.514036 H\n0.403209 0.403209 0.403209 O\n0.592278 0.592278 0.592278 O\n","nsites":4,"nelements":3,"elements":["Al","H","O"],"chemical_system":"Al-H-O","density":3.119596861920064,"density_atomic":0.1252688149209814,"volume":31.93133105412683,"volume_molar":4.807374256552773,"formula_full":"Al1 H1 O2","formula_reduced":"AlHO2","formula_anonymous":"ABC2","energy_above_hull":1.64884995,"spacegroup":160},{"id":"jvasp-117918","created_at":"2022-09-04T14:38:50.366455Z","updated_at":"2022-09-04T14:38:50.366483Z","structure_string":"Si1 C1 N2\n1.0\n2.857153 0.000000 0.000000\n-0.000000 2.857153 -0.000000\n0.000000 0.000000 3.786467\nSi C N\n1 1 2\ndirect\n0.500000 0.500000 0.519046 Si\n0.000000 0.000000 0.056338 C\n0.000000 0.000000 0.434701 N\n0.500000 0.500000 -0.000083 N\n","nsites":4,"nelements":3,"elements":["Si","C","N"],"chemical_system":"C-N-Si","density":3.6589481580739345,"density_atomic":0.12940731320741092,"volume":30.91015415480342,"volume_molar":4.653632480838126,"formula_full":"Si1 C1 N2","formula_reduced":"SiCN2","formula_anonymous":"ABC2","energy_above_hull":5.130098775,"spacegroup":99},{"id":"jvasp-120403","created_at":"2022-09-04T14:38:53.776632Z","updated_at":"2022-09-04T14:38:53.776661Z","structure_string":"Rb2 Au1 Se1\n1.0\n0.000000 4.052367 4.052367\n4.052367 -0.000000 4.052367\n4.052367 4.052367 -0.000000\nRb Au Se\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Rb\n0.750001 0.750001 0.750001 Rb\n0.500000 0.500000 0.500000 Au\n0.000000 0.000000 0.000000 Se\n","nsites":4,"nelements":3,"elements":["Rb","Au","Se"],"chemical_system":"Au-Rb-Se","density":5.5752761167696985,"density_atomic":0.03005409711705191,"volume":133.09333447686586,"volume_molar":20.03766986093618,"formula_full":"Rb2 Au1 Se1","formula_reduced":"Rb2AuSe","formula_anonymous":"ABC2","energy_above_hull":0.0,"spacegroup":225},{"id":"jvasp-120982","created_at":"2022-09-04T14:38:53.782156Z","updated_at":"2022-09-04T14:38:53.782172Z","structure_string":"Y1 Cl1 O2\n1.0\n3.293919 0.000000 0.000000\n0.000000 3.293919 0.000000\n0.000000 -0.000000 5.744936\nY Cl O\n1 1 2\ndirect\n0.500000 0.500000 0.560261 Y\n0.000000 0.000000 0.991603 Cl\n0.000000 0.000000 0.505614 O\n0.500000 0.500000 0.952524 O\n","nsites":4,"nelements":3,"elements":["Y","Cl","O"],"chemical_system":"Cl-O-Y","density":4.165404735406126,"density_atomic":0.06417250105167215,"volume":62.331994771080716,"volume_molar":9.3843011590758,"formula_full":"Y1 Cl1 O2","formula_reduced":"YClO2","formula_anonymous":"ABC2","energy_above_hull":1.538926629375,"spacegroup":99},{"id":"jvasp-117744","created_at":"2022-09-04T14:38:50.013873Z","updated_at":"2022-09-04T14:38:50.013895Z","structure_string":"Na1 Bi1 O2\n1.0\n1.763014 1.017877 5.643861\n-1.763014 1.017877 5.643861\n0.000000 -2.035754 5.643861\nNa Bi O\n1 1 2\ndirect\n0.500001 0.500001 0.499999 Na\n0.000000 0.000000 0.000000 Bi\n0.745357 0.745357 0.745353 O\n0.254645 0.254645 0.254644 O\n","nsites":4,"nelements":3,"elements":["Na","Bi","O"],"chemical_system":"Bi-Na-O","density":7.213123239567488,"density_atomic":0.06582356040014313,"volume":60.76851473368953,"volume_molar":9.148913737560306,"formula_full":"Na1 Bi1 O2","formula_reduced":"NaBiO2","formula_anonymous":"ABC2","energy_above_hull":0.8794250749999999,"spacegroup":166},{"id":"jvasp-113771","created_at":"2022-09-04T14:38:49.154332Z","updated_at":"2022-09-04T14:38:49.154352Z","structure_string":"Zr1 W1 C2\n1.0\n3.063702 -0.002474 4.636416\n1.391639 2.729399 4.636416\n-0.004041 -0.002474 5.557212\nZr W C\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Zr\n0.499999 0.500001 0.500000 W\n0.244117 0.244118 0.244117 C\n0.755882 0.755885 0.755883 C\n","nsites":4,"nelements":3,"elements":["Zr","W","C"],"chemical_system":"C-W-Zr","density":10.666899284702053,"density_atomic":0.08591200906151648,"volume":46.559265039836724,"volume_molar":7.009661193801094,"formula_full":"Zr1 W1 C2","formula_reduced":"ZrWC2","formula_anonymous":"ABC2","energy_above_hull":5.971513625000001,"spacegroup":166},{"id":"jvasp-118058","created_at":"2022-09-04T14:38:53.840305Z","updated_at":"2022-09-04T14:38:53.840323Z","structure_string":"Sn1 H1 Cl2\n1.0\n4.170808 0.000000 -0.000000\n-0.000000 4.170808 0.000000\n-0.000000 0.000000 5.750936\nSn H Cl\n1 1 2\ndirect\n0.500000 0.500000 0.515846 Sn\n0.000000 0.000000 0.032662 H\n0.000000 0.000000 0.519535 Cl\n0.500000 0.500000 -0.058043 Cl\n","nsites":4,"nelements":3,"elements":["Sn","H","Cl"],"chemical_system":"Cl-H-Sn","density":3.1640811169039114,"density_atomic":0.03998352330486551,"volume":100.04120871242101,"volume_molar":15.061556016668442,"formula_full":"Sn1 H1 Cl2","formula_reduced":"SnHCl2","formula_anonymous":"ABC2","energy_above_hull":0.76660245875,"spacegroup":99}]}