{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=id&page=3570","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=id&page=3568","results":[{"id":"jvasp-69091","created_at":"2022-09-04T14:36:01.702753Z","updated_at":"2022-09-04T14:36:01.702774Z","structure_string":"Ba2 Cd1 Bi1\n1.0\n-0.000000 4.260169 4.260169\n4.260169 0.000000 4.260169\n4.260169 4.260169 0.000000\nBa Cd Bi\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750000 Ba\n0.500000 0.500000 0.500000 Cd\n0.000000 0.000000 0.000000 Bi\n","nsites":4,"nelements":3,"elements":["Ba","Cd","Bi"],"chemical_system":"Ba-Bi-Cd","density":6.400559792387331,"density_atomic":0.025867205434937163,"volume":154.63595439642887,"volume_molar":23.280987098305886,"formula_full":"Ba2 Cd1 Bi1","formula_reduced":"Ba2CdBi","formula_anonymous":"ABC2","energy_above_hull":0.0,"spacegroup":225},{"id":"jvasp-69092","created_at":"2022-09-04T14:36:02.901515Z","updated_at":"2022-09-04T14:36:02.901540Z","structure_string":"Ba1 La1 Sb2\n1.0\n5.652798 -0.000000 0.000000\n-0.000000 5.652798 0.000000\n-0.000000 -0.000000 4.256122\nBa La Sb\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Ba\n0.000000 0.000000 0.500000 La\n0.500000 0.000000 0.000000 Sb\n0.000000 0.500000 0.000000 Sb\n","nsites":4,"nelements":3,"elements":["Ba","La","Sb"],"chemical_system":"Ba-La-Sb","density":6.3460670759559745,"density_atomic":0.02941162297277043,"volume":136.00065537706774,"volume_molar":20.47537725332382,"formula_full":"Ba1 La1 Sb2","formula_reduced":"BaLaSb2","formula_anonymous":"ABC2","energy_above_hull":0.9789382925,"spacegroup":123},{"id":"jvasp-69093","created_at":"2022-09-04T14:36:03.825594Z","updated_at":"2022-09-04T14:36:03.825620Z","structure_string":"Ba1 Hf4 Cu1\n1.0\n0.000000 4.218429 4.218429\n4.218429 -0.000000 4.218429\n4.218429 4.218429 0.000000\nBa Hf Cu\n1 4 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.123433 0.625523 0.625523 Hf\n0.625523 0.625523 0.625523 Hf\n0.625523 0.123433 0.625523 Hf\n0.625523 0.625523 0.123433 Hf\n0.000000 0.000000 0.000000 Cu\n","nsites":6,"nelements":3,"elements":["Ba","Hf","Cu"],"chemical_system":"Ba-Cu-Hf","density":10.118326569083683,"density_atomic":0.039964006682570885,"volume":150.13509650464357,"volume_molar":15.068911402785796,"formula_full":"Ba1 Hf4 Cu1","formula_reduced":"BaHf4Cu","formula_anonymous":"ABC4","energy_above_hull":4.058873069999999,"spacegroup":216},{"id":"jvasp-69094","created_at":"2022-09-04T14:36:04.302126Z","updated_at":"2022-09-04T14:36:04.302164Z","structure_string":"Ba1 Co1 Br2\n1.0\n5.101830 0.000000 0.000000\n-0.000000 5.101830 0.000000\n-0.000000 -0.000000 4.207932\nBa Co Br\n1 1 2\ndirect\n0.000000 0.000000 0.500000 Ba\n0.500000 0.500000 0.500000 Co\n0.500000 0.000000 0.000000 Br\n0.000000 0.500000 0.000000 Br\n","nsites":4,"nelements":3,"elements":["Ba","Co","Br"],"chemical_system":"Ba-Br-Co","density":5.398356992679598,"density_atomic":0.036520718390904275,"volume":109.52687067065544,"volume_molar":16.489655804525068,"formula_full":"Ba1 Co1 Br2","formula_reduced":"BaCoBr2","formula_anonymous":"ABC2","energy_above_hull":0.5596737700000001,"spacegroup":123},{"id":"jvasp-69096","created_at":"2022-09-04T14:36:07.696637Z","updated_at":"2022-09-04T14:36:07.696663Z","structure_string":"Ba1 Mn2 Sn1\n1.0\n4.905414 0.000000 0.000000\n0.000000 4.905414 0.000000\n0.000000 0.000000 4.243797\nBa Mn Sn\n1 2 1\ndirect\n0.000000 0.000000 0.500000 Ba\n0.500000 0.000000 0.000000 Mn\n0.000000 0.500000 0.000000 Mn\n0.500000 0.500000 0.500000 Sn\n","nsites":4,"nelements":3,"elements":["Ba","Mn","Sn"],"chemical_system":"Ba-Mn-Sn","density":5.950056772629619,"density_atomic":0.039170043823411375,"volume":102.11885434780282,"volume_molar":15.374352878310166,"formula_full":"Ba1 Mn2 Sn1","formula_reduced":"BaMn2Sn","formula_anonymous":"ABC2","energy_above_hull":2.304573038189655,"spacegroup":123},{"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-69100","created_at":"2022-09-04T14:36:11.693989Z","updated_at":"2022-09-04T14:36:11.694008Z","structure_string":"K2 Ba1 Ga1\n1.0\n4.680826 -0.000000 0.000000\n0.000000 4.680826 -0.000000\n-0.000000 -0.000000 8.234892\nK Ba Ga\n2 1 1\ndirect\n0.000000 0.000000 0.697154 K\n0.000000 0.000000 0.302846 K\n0.500000 0.500000 0.000000 Ba\n0.500000 0.500000 0.500000 Ga\n","nsites":4,"nelements":3,"elements":["K","Ba","Ga"],"chemical_system":"Ba-Ga-K","density":2.62522584600369,"density_atomic":0.022169560761653564,"volume":180.42757107388226,"volume_molar":27.164005749795585,"formula_full":"K2 Ba1 Ga1","formula_reduced":"K2BaGa","formula_anonymous":"ABC2","energy_above_hull":0.0,"spacegroup":123},{"id":"jvasp-69101","created_at":"2022-09-04T14:36:14.824056Z","updated_at":"2022-09-04T14:36:14.824067Z","structure_string":"Ba1 Ta2 P1\n1.0\n-2.135057 2.135057 4.799637\n2.135057 -2.135057 4.799637\n2.135057 2.135057 -4.799637\nBa Ta P\n1 2 1\ndirect\n0.250000 0.750001 0.500001 Ba\n0.000000 0.000000 0.000000 Ta\n0.500000 0.500000 0.000000 Ta\n0.750001 0.250000 0.500001 P\n","nsites":4,"nelements":3,"elements":["Ba","Ta","P"],"chemical_system":"Ba-P-Ta","density":10.0600152744509,"density_atomic":0.045705941504783756,"volume":87.51597425427381,"volume_molar":13.175837892694323,"formula_full":"Ba1 Ta2 P1","formula_reduced":"BaTa2P","formula_anonymous":"ABC2","energy_above_hull":4.262052467499999,"spacegroup":139},{"id":"jvasp-69102","created_at":"2022-09-04T14:36:18.242933Z","updated_at":"2022-09-04T14:36:18.242960Z","structure_string":"Ba1 Ti1 Se2\n1.0\n3.931324 0.000000 0.000000\n0.000000 3.931325 0.000000\n0.000000 0.000000 7.491957\nBa Ti Se\n1 1 2\ndirect\n0.500000 0.499999 0.194595 Ba\n0.000000 0.000000 0.671070 Ti\n0.000000 0.000000 0.007296 Se\n0.500000 0.499999 0.627039 Se\n","nsites":4,"nelements":3,"elements":["Ba","Ti","Se"],"chemical_system":"Ba-Se-Ti","density":4.920559349254957,"density_atomic":0.03454513780188234,"volume":115.79053535522567,"volume_molar":17.43267256462314,"formula_full":"Ba1 Ti1 Se2","formula_reduced":"BaTiSe2","formula_anonymous":"ABC2","energy_above_hull":1.3092527591666667,"spacegroup":99},{"id":"jvasp-69103","created_at":"2022-09-04T14:36:18.981332Z","updated_at":"2022-09-04T14:36:18.981358Z","structure_string":"Ba1 Sr2 Li1\n1.0\n6.159983 0.000000 0.000000\n-0.000000 6.159983 0.000000\n-0.000000 -0.000000 4.936823\nBa Sr Li\n1 2 1\ndirect\n0.500000 0.500000 0.500000 Ba\n0.500000 0.000000 0.000000 Sr\n0.000000 0.500000 0.000000 Sr\n0.000000 0.000000 0.500000 Li\n","nsites":4,"nelements":3,"elements":["Ba","Sr","Li"],"chemical_system":"Ba-Li-Sr","density":2.8322021634726173,"density_atomic":0.02135272994116303,"volume":187.32967686201766,"volume_molar":28.20314206470964,"formula_full":"Ba1 Sr2 Li1","formula_reduced":"BaSr2Li","formula_anonymous":"ABC2","energy_above_hull":0.0,"spacegroup":123},{"id":"jvasp-69104","created_at":"2022-09-04T14:36:19.366896Z","updated_at":"2022-09-04T14:36:19.366923Z","structure_string":"K2 Ba1 Be1\n1.0\n4.194820 0.000000 -0.000000\n0.000000 4.194820 -0.000000\n-0.000000 -0.000000 10.781436\nK Ba Be\n2 1 1\ndirect\n0.000000 0.000000 0.675791 K\n0.000000 0.000000 0.324209 K\n0.500000 0.500000 0.000000 Ba\n0.500000 0.500000 0.500000 Be\n","nsites":4,"nelements":3,"elements":["K","Ba","Be"],"chemical_system":"Ba-Be-K","density":1.965311467796335,"density_atomic":0.021084180338618443,"volume":189.71569848857132,"volume_molar":28.562366016997395,"formula_full":"K2 Ba1 Be1","formula_reduced":"K2BaBe","formula_anonymous":"ABC2","energy_above_hull":0.0801970175,"spacegroup":123},{"id":"jvasp-69105","created_at":"2022-09-04T14:36:21.510622Z","updated_at":"2022-09-04T14:36:21.510650Z","structure_string":"Ba1 Na2 P1\n1.0\n4.251621 0.000000 0.000000\n0.000000 4.251621 0.000000\n0.000000 0.000000 6.686450\nBa Na P\n1 2 1\ndirect\n0.500000 0.500000 0.500000 Ba\n0.000000 0.000000 0.813804 Na\n0.000000 0.000000 0.186196 Na\n0.500000 0.500000 0.000000 P\n","nsites":4,"nelements":3,"elements":["Ba","Na","P"],"chemical_system":"Ba-Na-P","density":2.943924419218214,"density_atomic":0.033094460291735184,"volume":120.86614994591515,"volume_molar":18.196824202339187,"formula_full":"Ba1 Na2 P1","formula_reduced":"BaNa2P","formula_anonymous":"ABC2","energy_above_hull":0.2948473675,"spacegroup":123}]}