{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-structure_string&page=4362","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-structure_string&page=4360","results":[{"id":"jvasp-8157","created_at":"2022-09-04T14:37:05.911460Z","updated_at":"2022-09-04T14:37:05.911485Z","structure_string":"Ba1 Th1 O3\n1.0\n4.594423 0.000000 0.000000\n0.000000 4.594423 0.000000\n-0.000000 -0.000000 4.594423\nBa Th O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Ba\n0.500000 0.500000 0.500000 Th\n0.000000 0.500000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.500000 0.500000 0.000000 O\n","nsites":5,"nelements":3,"elements":["Ba","Th","O"],"chemical_system":"Ba-O-Th","density":7.146121259383053,"density_atomic":0.051555745619421764,"volume":96.98240108695917,"volume_molar":11.680833411768903,"formula_full":"Ba1 Th1 O3","formula_reduced":"BaThO3","formula_anonymous":"ABC3","energy_above_hull":1.5030624140000002,"spacegroup":221},{"id":"jvasp-113509","created_at":"2022-09-04T14:38:42.947606Z","updated_at":"2022-09-04T14:38:42.947631Z","structure_string":"Ba1 Te3\n1.0\n6.592498 -0.172452 0.022844\n-4.590513 -4.731598 -0.197778\n0.536374 2.819904 -5.208351\nBa Te\n1 3\ndirect\n0.613337 0.274477 0.653823 Ba\n0.087307 0.090325 0.013523 Te\n-0.098382 -0.067511 0.497701 Te\n0.005626 0.505332 0.228312 Te\n","nsites":4,"nelements":2,"elements":["Ba","Te"],"chemical_system":"Ba-Te","density":5.079197844626779,"density_atomic":0.0235232121222713,"volume":170.04480422182144,"volume_molar":25.600843663261273,"formula_full":"Ba1 Te3","formula_reduced":"BaTe3","formula_anonymous":"AB3","energy_above_hull":0.7733788833333334,"spacegroup":1},{"id":"jvasp-114092","created_at":"2022-09-04T14:38:46.802527Z","updated_at":"2022-09-04T14:38:46.802554Z","structure_string":"Ba1 Te2\n1.0\n6.128444 0.000000 -1.449156\n0.000000 4.969227 0.000000\n-1.376415 0.000000 5.588649\nBa Te\n1 2\ndirect\n0.466679 0.000000 0.133221 Ba\n-0.127528 0.000000 -0.163620 Te\n0.060847 0.000000 0.430398 Te\n","nsites":3,"nelements":2,"elements":["Ba","Te"],"chemical_system":"Ba-Te","density":4.066601728443426,"density_atomic":0.018716914784467343,"volume":160.28282623211055,"volume_molar":32.17485803267967,"formula_full":"Ba1 Te2","formula_reduced":"BaTe2","formula_anonymous":"AB2","energy_above_hull":0.7397592555555557,"spacegroup":65},{"id":"jvasp-114089","created_at":"2022-09-04T14:38:48.212154Z","updated_at":"2022-09-04T14:38:48.212179Z","structure_string":"Ba1 Te2\n1.0\n5.993372 -0.000000 0.000000\n-2.996686 5.190413 0.000000\n-0.000000 0.000000 4.679237\nBa Te\n1 2\ndirect\n0.000000 0.000000 0.000000 Ba\n0.333332 0.666666 0.000000 Te\n0.666665 0.333333 0.000000 Te\n","nsites":3,"nelements":2,"elements":["Ba","Te"],"chemical_system":"Ba-Te","density":4.477859260998483,"density_atomic":0.020609766040951136,"volume":145.56205994959225,"volume_molar":29.219840477733438,"formula_full":"Ba1 Te2","formula_reduced":"BaTe2","formula_anonymous":"AB2","energy_above_hull":0.7786525888888889,"spacegroup":191},{"id":"jvasp-114099","created_at":"2022-09-04T14:38:50.065991Z","updated_at":"2022-09-04T14:38:50.066021Z","structure_string":"Ba1 Te2\n1.0\n5.782028 0.000000 0.000000\n0.000000 4.859847 0.000000\n0.000000 0.000000 6.357967\nBa Te\n1 2\ndirect\n0.466679 0.000000 0.000000 Ba\n-0.033339 0.000000 0.726765 Te\n-0.033339 0.000000 0.273235 Te\n","nsites":3,"nelements":2,"elements":["Ba","Te"],"chemical_system":"Ba-Te","density":3.6483590783628608,"density_atomic":0.016791913871288627,"volume":178.65741945767718,"volume_molar":35.86333759308316,"formula_full":"Ba1 Te2","formula_reduced":"BaTe2","formula_anonymous":"AB2","energy_above_hull":0.7548925888888889,"spacegroup":47},{"id":"jvasp-114093","created_at":"2022-09-04T14:38:46.799875Z","updated_at":"2022-09-04T14:38:46.799908Z","structure_string":"Ba1 Te2\n1.0\n4.602930 0.329844 -0.832679\n-2.568921 -6.386404 1.058335\n-0.597126 -2.705741 -3.782950\nBa Te\n1 2\ndirect\n0.144803 0.007752 0.095656 Ba\n0.852320 0.286669 0.388144 Te\n0.437342 0.728820 0.803206 Te\n","nsites":3,"nelements":2,"elements":["Ba","Te"],"chemical_system":"Ba-Te","density":5.507038274269188,"density_atomic":0.025346658703592897,"volume":118.35879573250217,"volume_molar":23.75911093617385,"formula_full":"Ba1 Te2","formula_reduced":"BaTe2","formula_anonymous":"AB2","energy_above_hull":0.5486892555555556,"spacegroup":12},{"id":"jvasp-66068","created_at":"2022-09-04T14:36:02.936251Z","updated_at":"2022-09-04T14:36:02.936276Z","structure_string":"Ba1 Te1 Se1\n1.0\n-0.000000 3.921587 3.921587\n3.921587 0.000000 3.921587\n3.921587 3.921587 -0.000000\nBa Te Se\n1 1 1\ndirect\n0.750001 0.750001 0.750001 Ba\n0.500000 0.500000 0.500000 Te\n0.000000 0.000000 0.000000 Se\n","nsites":3,"nelements":3,"elements":["Ba","Te","Se"],"chemical_system":"Ba-Se-Te","density":4.734229393966047,"density_atomic":0.02487171292643707,"volume":120.61895410553683,"volume_molar":24.212810664917424,"formula_full":"Ba1 Te1 Se1","formula_reduced":"BaTeSe","formula_anonymous":"ABC","energy_above_hull":0.3282857011111111,"spacegroup":216},{"id":"jvasp-69332","created_at":"2022-09-04T14:36:04.865660Z","updated_at":"2022-09-04T14:36:04.865681Z","structure_string":"Ba1 Te1 Pd2\n1.0\n4.827441 0.000000 0.000000\n0.000000 4.827441 -0.000000\n0.000000 -0.000000 4.222185\nBa Te Pd\n1 1 2\ndirect\n0.000000 0.000000 0.500001 Ba\n0.500000 0.500000 0.500001 Te\n0.500000 0.000000 0.000000 Pd\n0.000000 0.500000 0.000000 Pd\n","nsites":4,"nelements":3,"elements":["Ba","Te","Pd"],"chemical_system":"Ba-Pd-Te","density":8.062951340397573,"density_atomic":0.04065264275656112,"volume":98.39458713552936,"volume_molar":14.813651343806077,"formula_full":"Ba1 Te1 Pd2","formula_reduced":"BaTePd2","formula_anonymous":"ABC2","energy_above_hull":0.8831837841666668,"spacegroup":123},{"id":"jvasp-115606","created_at":"2022-09-04T14:38:47.367649Z","updated_at":"2022-09-04T14:38:47.367674Z","structure_string":"Ba1 Te1 Pd1\n1.0\n3.351107 -0.000000 0.000000\n-0.000000 3.351107 -0.000000\n0.000000 -0.000000 8.804653\nBa Te Pd\n1 1 1\ndirect\n0.000000 0.000000 0.373534 Ba\n0.000000 0.000000 -0.011010 Te\n0.000000 0.000000 0.687924 Pd\n","nsites":3,"nelements":3,"elements":["Ba","Te","Pd"],"chemical_system":"Ba-Pd-Te","density":6.2364893147958815,"density_atomic":0.030341176728167173,"volume":98.8755323129889,"volume_molar":19.848079110291582,"formula_full":"Ba1 Te1 Pd1","formula_reduced":"BaTePd","formula_anonymous":"ABC","energy_above_hull":0.7919431455555554,"spacegroup":99},{"id":"jvasp-115607","created_at":"2022-09-04T14:38:45.503820Z","updated_at":"2022-09-04T14:38:45.503836Z","structure_string":"Ba1 Te1 Pd1\n1.0\n0.000000 3.592167 3.592167\n3.592167 0.000000 3.592167\n3.592167 3.592167 0.000000\nBa Te Pd\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Ba\n0.500000 0.500000 0.500000 Te\n0.750000 0.750000 0.750000 Pd\n","nsites":3,"nelements":3,"elements":["Ba","Te","Pd"],"chemical_system":"Ba-Pd-Te","density":6.65165116120804,"density_atomic":0.032360982794842966,"volume":92.70423024600103,"volume_molar":18.60926411962892,"formula_full":"Ba1 Te1 Pd1","formula_reduced":"BaTePd","formula_anonymous":"ABC","energy_above_hull":0.3411564788888888,"spacegroup":216},{"id":"jvasp-66651","created_at":"2022-09-04T14:36:05.017754Z","updated_at":"2022-09-04T14:36:05.017789Z","structure_string":"Ba1 Te1 Pb1\n1.0\n-0.000000 4.019943 4.019943\n4.019943 -0.000000 4.019943\n4.019943 4.019943 -0.000000\nBa Te Pb\n1 1 1\ndirect\n0.749999 0.749999 0.749999 Ba\n0.500000 0.500000 0.500000 Te\n0.000000 0.000000 0.000000 Pb\n","nsites":3,"nelements":3,"elements":["Ba","Te","Pb"],"chemical_system":"Ba-Pb-Te","density":6.034179901463016,"density_atomic":0.023090406236244327,"volume":129.92408922156548,"volume_molar":26.08070511356887,"formula_full":"Ba1 Te1 Pb1","formula_reduced":"BaTePb","formula_anonymous":"ABC","energy_above_hull":0.1308548522222222,"spacegroup":216},{"id":"jvasp-65356","created_at":"2022-09-04T14:35:52.510531Z","updated_at":"2022-09-04T14:35:52.510561Z","structure_string":"Ba1 Te1 Ir2\n1.0\n3.371436 0.000000 0.000000\n-0.000000 3.372066 0.000000\n0.000000 0.000000 7.950002\nBa Te Ir\n1 1 2\ndirect\n0.500001 0.500001 0.500000 Ba\n0.500001 0.500001 0.000000 Te\n0.000000 0.000000 0.805401 Ir\n0.000000 0.000000 0.194598 Ir\n","nsites":4,"nelements":3,"elements":["Ba","Te","Ir"],"chemical_system":"Ba-Ir-Te","density":11.930456872674249,"density_atomic":0.04425697917995226,"volume":90.3812251562786,"volume_molar":13.60721149880907,"formula_full":"Ba1 Te1 Ir2","formula_reduced":"BaTeIr2","formula_anonymous":"ABC2","energy_above_hull":2.5532814841666664,"spacegroup":123}]}