{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-formula_full&page=4359","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-formula_full&page=4357","results":[{"id":"jvasp-65759","created_at":"2022-09-04T14:36:11.142241Z","updated_at":"2022-09-04T14:36:11.142251Z","structure_string":"Ba1 Ti4 Br1\n1.0\n0.000000 4.239039 4.239039\n4.239039 -0.000000 4.239039\n4.239039 4.239039 0.000000\nBa Ti Br\n1 4 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.169384 0.610205 0.610205 Ti\n0.610205 0.610205 0.610205 Ti\n0.610205 0.169384 0.610205 Ti\n0.610205 0.610205 0.169384 Ti\n0.000000 0.000000 0.000000 Br\n","nsites":6,"nelements":3,"elements":["Ba","Ti","Br"],"chemical_system":"Ba-Br-Ti","density":4.454720292856872,"density_atomic":0.03938392703571577,"volume":152.34641265099924,"volume_molar":15.29085902108937,"formula_full":"Ba1 Ti4 Br1","formula_reduced":"BaTi4Br","formula_anonymous":"ABC4","energy_above_hull":2.8715122347222217,"spacegroup":216},{"id":"jvasp-65424","created_at":"2022-09-04T14:36:14.113246Z","updated_at":"2022-09-04T14:36:14.113266Z","structure_string":"Ba1 Ti2 Tl1\n1.0\n3.682049 -3.683777 0.000000\n3.682049 3.683777 0.000000\n0.000000 0.000000 3.389406\nBa Ti Tl\n1 2 1\ndirect\n-0.000000 0.500000 0.500001 Ba\n0.000000 0.000000 0.000000 Ti\n0.500000 0.500000 0.000000 Ti\n0.500000 -0.000000 0.500001 Tl\n","nsites":4,"nelements":3,"elements":["Ba","Ti","Tl"],"chemical_system":"Ba-Ti-Tl","density":7.900150669475947,"density_atomic":0.04350343060657878,"volume":91.9467716505811,"volume_molar":13.842910032684422,"formula_full":"Ba1 Ti2 Tl1","formula_reduced":"BaTi2Tl","formula_anonymous":"ABC2","energy_above_hull":1.8524638091666668,"spacegroup":123},{"id":"jvasp-65634","created_at":"2022-09-04T14:35:43.798621Z","updated_at":"2022-09-04T14:35:43.798653Z","structure_string":"Ba1 Ti2 Ga1\n1.0\n4.564628 0.000000 0.000000\n0.000000 4.564628 -0.000000\n0.000000 0.000000 4.224186\nBa Ti Ga\n1 2 1\ndirect\n0.500000 0.500000 0.500000 Ba\n0.500000 0.000000 0.000000 Ti\n0.000000 0.500000 0.000000 Ti\n0.000000 0.000000 0.500000 Ga\n","nsites":4,"nelements":3,"elements":["Ba","Ti","Ga"],"chemical_system":"Ba-Ga-Ti","density":5.712526223676143,"density_atomic":0.04544710027750139,"volume":88.0144162240468,"volume_molar":13.250880085260938,"formula_full":"Ba1 Ti2 Ga1","formula_reduced":"BaTi2Ga","formula_anonymous":"ABC2","energy_above_hull":1.8690562404166664,"spacegroup":123},{"id":"jvasp-65538","created_at":"2022-09-04T14:36:04.847827Z","updated_at":"2022-09-04T14:36:04.847856Z","structure_string":"Ba1 Ti2 Cu1\n1.0\n-2.090258 2.090258 5.014266\n2.090258 -2.090258 5.014266\n2.090258 2.090258 -5.014266\nBa Ti Cu\n1 2 1\ndirect\n0.250000 0.750001 0.500000 Ba\n0.000000 0.000000 0.000000 Ti\n0.500000 0.500000 0.000000 Ti\n0.750001 0.250000 0.500000 Cu\n","nsites":4,"nelements":3,"elements":["Ba","Ti","Cu"],"chemical_system":"Ba-Cu-Ti","density":5.620349784644651,"density_atomic":0.04564496122513955,"volume":87.63289293357857,"volume_molar":13.193440411300488,"formula_full":"Ba1 Ti2 Cu1","formula_reduced":"BaTi2Cu","formula_anonymous":"ABC2","energy_above_hull":1.9345307716666669,"spacegroup":139},{"id":"jvasp-69266","created_at":"2022-09-04T14:36:20.802625Z","updated_at":"2022-09-04T14:36:20.802641Z","structure_string":"Ba1 Ti2 Bi1\n1.0\n4.876709 -0.000000 0.000000\n-0.000000 4.876709 0.000000\n-0.000000 -0.000000 4.195634\nBa Ti Bi\n1 2 1\ndirect\n0.500000 0.500000 0.499999 Ba\n0.500000 -0.000000 -0.000000 Ti\n0.000000 0.500000 -0.000000 Ti\n0.000000 0.000000 0.499999 Bi\n","nsites":4,"nelements":3,"elements":["Ba","Ti","Bi"],"chemical_system":"Ba-Bi-Ti","density":7.3563225650023965,"density_atomic":0.04008747594928267,"volume":99.781787335792,"volume_molar":15.022499215513122,"formula_full":"Ba1 Ti2 Bi1","formula_reduced":"BaTi2Bi","formula_anonymous":"ABC2","energy_above_hull":2.180001734166667,"spacegroup":123},{"id":"jvasp-35907","created_at":"2022-09-04T14:37:35.641043Z","updated_at":"2022-09-04T14:37:35.641069Z","structure_string":"Ba1 Ti2 As2 O1\n1.0\n4.056341 0.000000 0.000000\n-0.000000 4.056341 0.000000\n0.000000 -0.000000 7.349571\nBa Ti As O\n1 2 2 1\ndirect\n0.500000 0.500000 0.500000 Ba\n0.000000 0.500000 0.000000 Ti\n0.500000 0.000000 0.000000 Ti\n0.000000 0.000000 0.243398 As\n0.000000 0.000000 0.756602 As\n0.500000 0.500000 0.000000 O\n","nsites":6,"nelements":4,"elements":["Ba","Ti","As","O"],"chemical_system":"As-Ba-O-Ti","density":5.4775474579687895,"density_atomic":0.04961583975105919,"volume":120.92912324177509,"volume_molar":12.137536702422619,"formula_full":"Ba1 Ti2 As2 O1","formula_reduced":"BaTi2As2O","formula_anonymous":"ABC2D2","energy_above_hull":2.3907199394444443,"spacegroup":123},{"id":"jvasp-66482","created_at":"2022-09-04T14:36:22.086325Z","updated_at":"2022-09-04T14:36:22.086355Z","structure_string":"Ba1 Ti1 Zn1\n1.0\n0.000000 3.628632 3.628632\n3.628632 0.000000 3.628632\n3.628632 3.628632 -0.000000\nBa Ti Zn\n1 1 1\ndirect\n0.750000 0.750000 0.750000 Ba\n0.000000 0.000000 0.000000 Ti\n0.500000 0.500000 0.500000 Zn\n","nsites":3,"nelements":3,"elements":["Ba","Ti","Zn"],"chemical_system":"Ba-Ti-Zn","density":4.3548839762147065,"density_atomic":0.031395144081231875,"volume":95.55617875929451,"volume_molar":19.18175863253979,"formula_full":"Ba1 Ti1 Zn1","formula_reduced":"BaTiZn","formula_anonymous":"ABC","energy_above_hull":0.9850149011111108,"spacegroup":216},{"id":"jvasp-65776","created_at":"2022-09-04T14:36:09.516661Z","updated_at":"2022-09-04T14:36:09.516694Z","structure_string":"Ba1 Ti1 Te2\n1.0\n4.249710 0.000000 0.000000\n0.000000 4.249710 0.000000\n0.000000 0.000000 7.907478\nBa Ti Te\n1 1 2\ndirect\n0.500000 0.500000 0.807308 Ba\n0.000000 0.000000 0.333811 Ti\n0.000000 0.000000 0.986495 Te\n0.500000 0.500000 0.372387 Te\n","nsites":4,"nelements":3,"elements":["Ba","Ti","Te"],"chemical_system":"Ba-Te-Ti","density":5.120753953187829,"density_atomic":0.028009374436600388,"volume":142.80933010674894,"volume_molar":21.500447193603698,"formula_full":"Ba1 Ti1 Te2","formula_reduced":"BaTiTe2","formula_anonymous":"ABC2","energy_above_hull":1.1563174591666667,"spacegroup":99},{"id":"jvasp-115608","created_at":"2022-09-04T14:38:50.189116Z","updated_at":"2022-09-04T14:38:50.189143Z","structure_string":"Ba1 Ti1 Te1\n1.0\n3.268695 -0.000000 0.000000\n-0.000000 3.268695 -0.000000\n0.000000 -0.000000 9.157466\nBa Ti Te\n1 1 1\ndirect\n0.000000 0.000000 -0.058257 Ba\n0.000000 0.000000 0.600180 Ti\n0.000000 0.000000 0.309966 Te\n","nsites":3,"nelements":3,"elements":["Ba","Ti","Te"],"chemical_system":"Ba-Te-Ti","density":5.308641514638151,"density_atomic":0.030661764410358082,"volume":97.84172756172333,"volume_molar":19.64055518594232,"formula_full":"Ba1 Ti1 Te1","formula_reduced":"BaTiTe","formula_anonymous":"ABC","energy_above_hull":1.5339973566666665,"spacegroup":99},{"id":"jvasp-66395","created_at":"2022-09-04T14:36:18.902029Z","updated_at":"2022-09-04T14:36:18.902056Z","structure_string":"Ba1 Ti1 Te1\n1.0\n0.000000 3.958490 3.958490\n3.958490 -0.000000 3.958490\n3.958490 3.958490 -0.000000\nBa Ti Te\n1 1 1\ndirect\n0.750000 0.750000 0.750000 Ba\n0.500000 0.500000 0.500000 Ti\n0.000000 0.000000 0.000000 Te\n","nsites":3,"nelements":3,"elements":["Ba","Ti","Te"],"chemical_system":"Ba-Te-Ti","density":4.186864048735314,"density_atomic":0.02418257829739152,"volume":124.05625087229008,"volume_molar":24.90280683036012,"formula_full":"Ba1 Ti1 Te1","formula_reduced":"BaTiTe","formula_anonymous":"ABC","energy_above_hull":1.4402140233333331,"spacegroup":216},{"id":"jvasp-65332","created_at":"2022-09-04T14:36:19.417584Z","updated_at":"2022-09-04T14:36:19.417621Z","structure_string":"Ba1 Ti1 Si2\n1.0\n3.616953 0.000000 -0.000000\n-0.000000 3.616953 -0.000000\n0.000000 0.000000 7.934622\nBa Ti Si\n1 1 2\ndirect\n0.500000 0.500000 0.766635 Ba\n0.000000 0.000000 0.350632 Ti\n0.000000 0.000000 0.035237 Si\n0.500000 0.500000 0.347495 Si\n","nsites":4,"nelements":3,"elements":["Ba","Ti","Si"],"chemical_system":"Ba-Si-Ti","density":3.861103278071091,"density_atomic":0.03853434828989616,"volume":103.80349422047483,"volume_molar":15.627981339388649,"formula_full":"Ba1 Ti1 Si2","formula_reduced":"BaTiSi2","formula_anonymous":"ABC2","energy_above_hull":2.483732875833333,"spacegroup":99},{"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}]}