{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-formula_full&page=4389","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-formula_full&page=4387","results":[{"id":"jvasp-69097","created_at":"2022-09-04T14:36:08.873058Z","updated_at":"2022-09-04T14:36:08.873085Z","structure_string":"Ba1 Re1 Br2\n1.0\n4.190372 0.000000 -0.000000\n-0.000000 4.190372 0.000000\n-0.000000 -0.000000 7.214516\nBa Re Br\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Ba\n0.500000 0.500000 0.000000 Re\n0.000000 0.000000 0.739760 Br\n0.000000 0.000000 0.260241 Br\n","nsites":4,"nelements":3,"elements":["Ba","Re","Br"],"chemical_system":"Ba-Br-Re","density":6.335651393675083,"density_atomic":0.031575310659687585,"volume":126.68125558957135,"volume_molar":19.072308820348386,"formula_full":"Ba1 Re1 Br2","formula_reduced":"BaReBr2","formula_anonymous":"ABC2","energy_above_hull":1.675345545,"spacegroup":123},{"id":"jvasp-68980","created_at":"2022-09-04T14:36:10.725559Z","updated_at":"2022-09-04T14:36:10.725587Z","structure_string":"Ba1 Re1 Br2\n1.0\n4.268643 0.000000 0.000000\n0.000000 4.268643 0.000000\n0.000000 0.000000 6.778327\nBa Re Br\n1 1 2\ndirect\n0.500000 0.500000 0.776183 Ba\n0.000000 0.000000 0.444305 Re\n0.000000 0.000000 0.984480 Br\n0.500000 0.500000 0.295032 Br\n","nsites":4,"nelements":3,"elements":["Ba","Re","Br"],"chemical_system":"Ba-Br-Re","density":6.498325274148277,"density_atomic":0.032386036817582856,"volume":123.51001829987241,"volume_molar":18.59486788680019,"formula_full":"Ba1 Re1 Br2","formula_reduced":"BaReBr2","formula_anonymous":"ABC2","energy_above_hull":1.670718045,"spacegroup":99},{"id":"jvasp-69253","created_at":"2022-09-04T14:35:57.040584Z","updated_at":"2022-09-04T14:35:57.040606Z","structure_string":"Ba1 Re1 Br2\n1.0\n4.190059 -0.000000 0.000000\n-0.000000 4.192063 0.000000\n0.000000 0.000000 7.212813\nBa Re Br\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Ba\n0.500000 0.500000 0.000000 Re\n0.000000 0.000000 0.739811 Br\n0.000000 0.000000 0.260189 Br\n","nsites":4,"nelements":3,"elements":["Ba","Re","Br"],"chemical_system":"Ba-Br-Re","density":6.335064200036961,"density_atomic":0.0315723842326497,"volume":126.6929976059113,"volume_molar":19.07407662222852,"formula_full":"Ba1 Re1 Br2","formula_reduced":"BaReBr2","formula_anonymous":"ABC2","energy_above_hull":1.675358045,"spacegroup":123},{"id":"jvasp-86970","created_at":"2022-09-04T14:35:54.531182Z","updated_at":"2022-09-04T14:35:54.531206Z","structure_string":"Ba1 Pu1 O3\n1.0\n4.404086 -0.000000 -0.000000\n0.000000 4.404086 -0.000000\n0.000000 0.000000 4.404086\nBa Pu O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Ba\n0.500000 0.500000 0.500000 Pu\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","Pu","O"],"chemical_system":"Ba-O-Pu","density":8.3458025443241,"density_atomic":0.0585332490317998,"volume":85.42153532744462,"volume_molar":10.288410193543683,"formula_full":"Ba1 Pu1 O3","formula_reduced":"BaPuO3","formula_anonymous":"ABC3","energy_above_hull":2.523353294,"spacegroup":221},{"id":"jvasp-19843","created_at":"2022-09-04T14:36:00.272255Z","updated_at":"2022-09-04T14:36:00.272283Z","structure_string":"Ba1 Pt5\n1.0\n2.815073 -4.875850 -0.000000\n2.815073 4.875850 0.000000\n0.000000 0.000000 4.348200\nBa Pt\n1 5\ndirect\n0.000000 0.000000 0.000000 Ba\n0.333333 0.666667 0.000000 Pt\n0.666667 0.333333 0.000000 Pt\n-0.000000 0.500000 0.500000 Pt\n0.500000 0.500000 0.500000 Pt\n0.500000 -0.000000 0.500000 Pt\n","nsites":6,"nelements":2,"elements":["Ba","Pt"],"chemical_system":"Ba-Pt","density":15.479824200348299,"density_atomic":0.05026570117381613,"volume":119.36568793206162,"volume_molar":11.980616244018472,"formula_full":"Ba1 Pt5","formula_reduced":"BaPt5","formula_anonymous":"AB5","energy_above_hull":2.292668828333334,"spacegroup":191},{"id":"jvasp-65434","created_at":"2022-09-04T14:35:54.061627Z","updated_at":"2022-09-04T14:35:54.061647Z","structure_string":"Ba1 Pt1 Rh2\n1.0\n3.349521 0.000000 -0.000000\n0.000000 3.349521 -0.000000\n-0.000000 -0.000000 7.281634\nBa Pt Rh\n1 1 2\ndirect\n0.500000 0.500000 0.000000 Ba\n0.500000 0.500000 0.500000 Pt\n0.000000 0.000000 0.680884 Rh\n0.000000 0.000000 0.319116 Rh\n","nsites":4,"nelements":3,"elements":["Ba","Pt","Rh"],"chemical_system":"Ba-Pt-Rh","density":10.939973934146016,"density_atomic":0.0489627424853876,"volume":81.6947702877092,"volume_molar":12.299435150711265,"formula_full":"Ba1 Pt1 Rh2","formula_reduced":"BaPtRh2","formula_anonymous":"ABC2","energy_above_hull":2.0864608425,"spacegroup":123},{"id":"jvasp-110400","created_at":"2022-09-04T14:38:37.774950Z","updated_at":"2022-09-04T14:38:37.774966Z","structure_string":"Ba1 Pt1 O3\n1.0\n4.114336 -0.000000 0.000000\n-0.000000 4.114336 -0.000000\n0.000000 -0.000000 4.114336\nBa Pt O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Ba\n0.500000 0.500000 0.500000 Pt\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n","nsites":5,"nelements":3,"elements":["Ba","Pt","O"],"chemical_system":"Ba-O-Pt","density":9.069865394811995,"density_atomic":0.07179112137756699,"volume":69.64649533336835,"volume_molar":8.388419966764546,"formula_full":"Ba1 Pt1 O3","formula_reduced":"BaPtO3","formula_anonymous":"ABC3","energy_above_hull":1.742137574,"spacegroup":221},{"id":"jvasp-65627","created_at":"2022-09-04T14:36:11.976303Z","updated_at":"2022-09-04T14:36:11.976327Z","structure_string":"Ba1 Pt1 Br2\n1.0\n5.030458 0.000000 0.000000\n0.000000 5.030458 0.000000\n0.000000 0.000000 4.225232\nBa Pt Br\n1 1 2\ndirect\n0.000000 0.000000 0.500000 Ba\n0.500000 0.500000 0.500000 Pt\n0.500000 0.000000 0.000000 Br\n0.000000 0.500000 0.000000 Br\n","nsites":4,"nelements":3,"elements":["Ba","Pt","Br"],"chemical_system":"Ba-Br-Pt","density":7.644372759292055,"density_atomic":0.03741057439414182,"volume":106.92164086703694,"volume_molar":16.09742928978662,"formula_full":"Ba1 Pt1 Br2","formula_reduced":"BaPtBr2","formula_anonymous":"ABC2","energy_above_hull":0.337986395,"spacegroup":123},{"id":"jvasp-91256","created_at":"2022-09-04T14:36:12.007244Z","updated_at":"2022-09-04T14:36:12.007265Z","structure_string":"Ba1 Pr2 Ni1 O5\n1.0\n3.686607 -0.000025 -1.076480\n-0.764082 5.348747 -2.616488\n0.022090 0.022501 6.926289\nBa Pr Ni O\n1 2 1 5\ndirect\n0.000000 0.000000 0.000000 Ba\n0.201345 0.701346 0.402689 Pr\n0.798657 0.298656 0.597311 Pr\n0.500001 0.500001 0.000000 Ni\n1.000000 0.500001 0.000001 O\n0.356669 0.599727 0.713323 O\n0.643333 0.400274 0.286677 O\n0.643347 0.886408 0.286679 O\n0.356654 0.113593 0.713321 O\n","nsites":9,"nelements":4,"elements":["Ba","Pr","Ni","O"],"chemical_system":"Ba-Ni-O-Pr","density":6.764287278673309,"density_atomic":0.06572210831776766,"volume":136.94022042757402,"volume_molar":9.1630364791142,"formula_full":"Ba1 Pr2 Ni1 O5","formula_reduced":"BaPr2NiO5","formula_anonymous":"ABC2D5","energy_above_hull":1.8254550633333333,"spacegroup":71},{"id":"jvasp-15445","created_at":"2022-09-04T14:35:50.857526Z","updated_at":"2022-09-04T14:35:50.857557Z","structure_string":"Ba1 Pr1 O3\n1.0\n4.581324 -0.000000 -0.000000\n-0.000000 4.581324 0.000000\n-0.000000 -0.000000 4.581324\nBa Pr O\n1 1 3\ndirect\n0.500000 0.500000 0.500000 Ba\n0.000000 0.000000 0.000000 Pr\n0.000000 0.500000 0.000000 O\n0.000000 0.000000 0.500000 O\n0.500000 0.000000 0.000000 O\n","nsites":5,"nelements":3,"elements":["Ba","Pr","O"],"chemical_system":"Ba-O-Pr","density":5.633830370485922,"density_atomic":0.05199923845920768,"volume":96.1552543490112,"volume_molar":11.581209530066953,"formula_full":"Ba1 Pr1 O3","formula_reduced":"BaPrO3","formula_anonymous":"ABC3","energy_above_hull":1.3072652640000002,"spacegroup":221},{"id":"jvasp-111387","created_at":"2022-09-04T14:38:26.156296Z","updated_at":"2022-09-04T14:38:26.156323Z","structure_string":"Ba1 Pr1 Nb1 Co1 O6\n1.0\n4.897404 -0.000000 2.827517\n1.632468 4.617317 2.827517\n-0.000000 -0.000000 5.655035\nBa Pr Nb Co O\n1 1 1 1 6\ndirect\n0.750000 0.750001 0.750000 Ba\n0.250000 0.250000 0.250000 Pr\n0.500000 0.500000 0.500000 Nb\n0.000000 0.000000 0.000000 Co\n0.751206 0.248793 0.248794 O\n0.248793 0.751207 0.751206 O\n0.248793 0.751207 0.248793 O\n0.751206 0.248793 0.751207 O\n0.751206 0.751207 0.248794 O\n0.248793 0.248793 0.751206 O\n","nsites":10,"nelements":5,"elements":["Ba","Pr","Nb","Co","O"],"chemical_system":"Ba-Co-Nb-O-Pr","density":6.831282239280989,"density_atomic":0.07820041887047931,"volume":127.87655289369562,"volume_molar":7.700906014294203,"formula_full":"Ba1 Pr1 Nb1 Co1 O6","formula_reduced":"BaPrNbCoO6","formula_anonymous":"ABCDE6","energy_above_hull":2.691610712,"spacegroup":216},{"id":"jvasp-59590","created_at":"2022-09-04T14:38:33.495752Z","updated_at":"2022-09-04T14:38:33.495777Z","structure_string":"Ba1 Pr1 Mn2 O6\n1.0\n3.912399 -0.000000 -0.000000\n-0.000000 3.912399 -0.000000\n0.000000 0.000000 7.819459\nBa Pr Mn O\n1 1 2 6\ndirect\n0.000000 0.000000 0.500000 Ba\n0.000000 0.000000 0.000000 Pr\n0.500000 0.500000 0.753020 Mn\n0.500000 0.500000 0.246980 Mn\n0.500000 0.500000 0.000000 O\n0.000000 0.500000 0.771781 O\n0.500000 0.000000 0.771781 O\n0.000000 0.500000 0.228219 O\n0.500000 0.500000 0.500000 O\n0.500000 0.000000 0.228219 O\n","nsites":10,"nelements":4,"elements":["Ba","Pr","Mn","O"],"chemical_system":"Ba-Mn-O-Pr","density":6.716261545989741,"density_atomic":0.08354818403401942,"volume":119.69141059880089,"volume_molar":7.207985223889348,"formula_full":"Ba1 Pr1 Mn2 O6","formula_reduced":"BaPrMn2O6","formula_anonymous":"ABC2D6","energy_above_hull":2.6567411302758623,"spacegroup":123}]}