{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=energy_above_hull&page=3598","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=energy_above_hull&page=3596","results":[{"id":"jvasp-44056","created_at":"2022-09-04T14:36:50.419576Z","updated_at":"2022-09-04T14:36:50.419594Z","structure_string":"V6 O7 F5\n1.0\n5.547590 -0.027229 0.036112\n1.710451 5.258958 0.032887\n2.230763 1.677444 6.706090\nV O F\n6 7 5\ndirect\n0.703392 0.679787 0.835333 V\n0.339564 0.337211 0.668850 V\n0.678196 0.617157 0.314880 V\n0.329598 0.331190 0.160045 V\n0.974580 0.995029 0.513826 V\n0.973609 0.037098 0.004712 V\n0.689667 0.321734 0.995291 O\n0.970554 0.344252 0.334409 O\n0.631271 0.038856 0.671056 O\n0.775423 0.770081 0.038673 O\n0.229486 0.233128 0.964632 O\n0.043375 0.633463 0.667813 O\n0.432969 0.427238 0.363347 O\n0.097196 0.103408 0.702162 F\n0.367138 0.952532 0.336860 F\n0.576221 0.575261 0.627183 F\n0.889333 0.890876 0.306194 F\n0.298419 0.711692 0.994738 F\n","nsites":18,"nelements":3,"elements":["V","O","F"],"chemical_system":"F-O-V","density":4.357996750858646,"density_atomic":0.09215109859345977,"volume":195.33136636178435,"volume_molar":6.535072128187747,"formula_full":"V6 O7 F5","formula_reduced":"V6O7F5","formula_anonymous":"A5B6C7","energy_above_hull":2.8037372840277777,"spacegroup":1},{"id":"jvasp-48372","created_at":"2022-09-04T14:37:14.527029Z","updated_at":"2022-09-04T14:37:14.527057Z","structure_string":"V6 O7 F5\n1.0\n4.604781 0.001052 -0.017206\n0.084893 5.504820 0.083714\n0.087906 0.508606 7.652357\nV O F\n6 7 5\ndirect\n0.537515 0.841400 0.648943 V\n0.501942 0.503970 0.001574 V\n0.476654 0.166221 0.356667 V\n0.003333 0.325478 0.695997 V\n0.991187 0.658409 0.315264 V\n0.982520 0.002395 0.982513 V\n0.202712 0.299675 0.909036 O\n0.306370 0.457879 0.238646 O\n0.289269 0.131847 0.572180 O\n0.697570 0.542326 0.765278 O\n0.791485 0.035725 0.765498 O\n0.805247 0.708512 0.093096 O\n0.707959 0.865512 0.426006 O\n0.205683 0.963271 0.222370 F\n0.799973 0.364093 0.443379 F\n0.704790 0.201924 0.112820 F\n0.297602 0.802368 0.885888 F\n0.198190 0.628999 0.564838 F\n","nsites":18,"nelements":3,"elements":["V","O","F"],"chemical_system":"F-O-V","density":4.392737649159687,"density_atomic":0.09288570491089997,"volume":193.78654678097547,"volume_molar":6.483388122829773,"formula_full":"V6 O7 F5","formula_reduced":"V6O7F5","formula_anonymous":"A5B6C7","energy_above_hull":2.80374950625,"spacegroup":1},{"id":"jvasp-119914","created_at":"2022-09-04T14:38:48.873979Z","updated_at":"2022-09-04T14:38:48.874001Z","structure_string":"B1 H1 O2\n1.0\n1.222285 0.705687 4.116799\n-1.222285 0.705687 4.116799\n-0.000000 -1.411373 4.116799\nB H O\n1 1 2\ndirect\n0.500002 0.500002 0.499998 B\n0.000000 0.000000 0.000000 H\n0.239593 0.239593 0.239592 O\n0.760410 0.760410 0.760405 O\n","nsites":4,"nelements":3,"elements":["B","H","O"],"chemical_system":"B-H-O","density":3.4151026633989807,"density_atomic":0.18774340215581006,"volume":21.3056754808372,"volume_molar":3.207644418312057,"formula_full":"B1 H1 O2","formula_reduced":"BHO2","formula_anonymous":"ABC2","energy_above_hull":2.803782395833333,"spacegroup":166},{"id":"jvasp-74962","created_at":"2022-09-04T14:36:05.065155Z","updated_at":"2022-09-04T14:36:05.065174Z","structure_string":"Mn1 Be2 Fe1\n1.0\n2.709989 0.000000 0.000000\n0.000000 2.709989 0.000000\n-0.000000 -0.000000 5.178091\nMn Be Fe\n1 2 1\ndirect\n0.500000 0.500000 0.500000 Mn\n0.000000 0.000000 0.765540 Be\n0.000000 0.000000 0.234459 Be\n0.500000 0.500000 0.000000 Fe\n","nsites":4,"nelements":3,"elements":["Mn","Be","Fe"],"chemical_system":"Be-Fe-Mn","density":5.624516656482891,"density_atomic":0.10518535008808334,"volume":38.02810939594114,"volume_molar":5.725265690475903,"formula_full":"Mn1 Be2 Fe1","formula_reduced":"MnBe2Fe","formula_anonymous":"ABC2","energy_above_hull":2.803896235344828,"spacegroup":123},{"id":"jvasp-53259","created_at":"2022-09-04T14:38:01.258036Z","updated_at":"2022-09-04T14:38:01.258058Z","structure_string":"Ti6 Ga2\n1.0\n5.438562 -0.000000 -0.000000\n-2.719280 4.709933 -0.000000\n-0.000000 0.000000 5.461991\nTi Ga\n6 2\ndirect\n0.500000 0.500000 0.000000 Ti\n0.500000 0.500000 0.500000 Ti\n-0.000000 0.500000 0.500000 Ti\n-0.000000 0.500000 0.000000 Ti\n0.500000 0.000000 0.500000 Ti\n0.500000 0.000000 0.000000 Ti\n0.000000 0.000000 0.000000 Ga\n0.000000 0.000000 0.500000 Ga\n","nsites":8,"nelements":2,"elements":["Ti","Ga"],"chemical_system":"Ga-Ti","density":5.063712247131725,"density_atomic":0.057179478972645095,"volume":139.91033398235814,"volume_molar":10.531996562754651,"formula_full":"Ti6 Ga2","formula_reduced":"Ti3Ga","formula_anonymous":"AB3","energy_above_hull":2.8039168312500005,"spacegroup":191},{"id":"jvasp-42351","created_at":"2022-09-04T14:36:18.569126Z","updated_at":"2022-09-04T14:36:18.569159Z","structure_string":"V6 O7 F5\n1.0\n4.669528 -0.014367 0.021761\n0.257168 5.540560 -0.015152\n0.148826 0.646002 7.551265\nV O F\n6 7 5\ndirect\n0.510783 0.813642 0.671531 V\n0.463064 0.482312 0.996608 V\n0.544431 0.189456 0.323459 V\n0.982013 0.340065 0.672593 V\n0.980171 0.657995 0.334913 V\n0.023008 0.009777 0.998814 V\n0.196094 0.292695 0.895573 O\n0.298389 0.795206 0.901020 O\n0.296969 0.471188 0.234436 O\n0.693827 0.527963 0.769382 O\n0.708169 0.199241 0.097130 O\n0.805451 0.372724 0.435070 O\n0.694775 0.878889 0.433966 O\n0.203542 0.972909 0.237193 F\n0.796330 0.701092 0.098098 F\n0.803290 0.026479 0.765530 F\n0.304055 0.135028 0.564819 F\n0.195659 0.633330 0.569876 F\n","nsites":18,"nelements":3,"elements":["V","O","F"],"chemical_system":"F-O-V","density":4.355928138276245,"density_atomic":0.09210735718360329,"volume":195.42412843438214,"volume_molar":6.538175607400932,"formula_full":"V6 O7 F5","formula_reduced":"V6O7F5","formula_anonymous":"A5B6C7","energy_above_hull":2.8039850618055557,"spacegroup":1},{"id":"jvasp-51160","created_at":"2022-09-04T14:36:51.547694Z","updated_at":"2022-09-04T14:36:51.547730Z","structure_string":"Ti1 Tl2 W1\n1.0\n0.000000 3.383803 3.383803\n3.383803 -0.000000 3.383803\n3.383803 3.383803 0.000000\nTi Tl W\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Ti\n0.749999 0.749999 0.749999 Tl\n0.250000 0.250000 0.250000 Tl\n0.500000 0.500000 0.500000 W\n","nsites":4,"nelements":3,"elements":["Ti","Tl","W"],"chemical_system":"Ti-Tl-W","density":13.724771460653551,"density_atomic":0.0516196175226891,"volume":77.48991937497064,"volume_molar":11.66638004892811,"formula_full":"Ti1 Tl2 W1","formula_reduced":"TiTl2W","formula_anonymous":"ABC2","energy_above_hull":2.8040533833333336,"spacegroup":225},{"id":"jvasp-50262","created_at":"2022-09-04T14:36:35.866619Z","updated_at":"2022-09-04T14:36:35.866642Z","structure_string":"Li2 Bi2 B4 O12\n1.0\n0.000000 4.590261 0.000841\n5.889940 0.000000 0.000000\n0.000000 -4.207652 -8.042395\nLi Bi B O\n2 2 4 12\ndirect\n0.500000 0.500000 0.500000 Li\n0.500000 0.000000 0.000000 Li\n0.000000 0.500000 0.000000 Bi\n-0.000000 0.000000 0.500000 Bi\n0.733689 0.136069 0.741231 B\n0.266311 0.636069 0.758768 B\n0.733689 0.363931 0.241232 B\n0.266311 0.863931 0.258768 B\n0.544648 0.813050 0.405535 O\n0.455352 0.313050 0.094465 O\n0.748081 0.315391 0.394200 O\n0.009780 0.047647 0.739075 O\n0.990220 0.952353 0.260925 O\n0.748081 0.184609 0.894199 O\n0.544648 0.686950 0.905534 O\n0.455352 0.186950 0.594465 O\n0.251919 0.815391 0.105800 O\n0.009780 0.452353 0.239075 O\n0.251919 0.684609 0.605800 O\n0.990220 0.547647 0.760924 O\n","nsites":20,"nelements":4,"elements":["Li","Bi","B","O"],"chemical_system":"B-Bi-Li-O","density":5.0948891328284756,"density_atomic":0.09198944031593982,"volume":217.4162592065953,"volume_molar":6.546556582273815,"formula_full":"Li2 Bi2 B4 O12","formula_reduced":"LiBi(BO3)2","formula_anonymous":"ABC2D6","energy_above_hull":2.8041650466666668,"spacegroup":14},{"id":"jvasp-70469","created_at":"2022-09-04T14:36:06.731137Z","updated_at":"2022-09-04T14:36:06.731159Z","structure_string":"Be2 Mo1 Se1\n1.0\n3.185079 0.000000 -0.000000\n0.000000 3.185079 0.000000\n-0.000000 0.000000 5.044157\nBe Mo Se\n2 1 1\ndirect\n0.000000 0.000000 0.026742 Be\n0.500000 0.500000 0.222890 Be\n0.000000 0.000000 0.489069 Mo\n0.500000 0.500000 0.761300 Se\n","nsites":4,"nelements":3,"elements":["Be","Mo","Se"],"chemical_system":"Be-Mo-Se","density":6.260473214409927,"density_atomic":0.07816835603908495,"volume":51.1716019459327,"volume_molar":7.7040647458274165,"formula_full":"Be2 Mo1 Se1","formula_reduced":"Be2MoSe","formula_anonymous":"ABC2","energy_above_hull":2.804310366666667,"spacegroup":99},{"id":"jvasp-48365","created_at":"2022-09-04T14:37:09.847458Z","updated_at":"2022-09-04T14:37:09.847492Z","structure_string":"V6 O7 F5\n1.0\n4.638686 -0.020689 0.011970\n0.067230 5.567259 0.029575\n0.108735 0.559621 7.561286\nV O F\n6 7 5\ndirect\n0.480246 0.859863 0.664516 V\n0.490031 0.493692 0.997168 V\n0.546951 0.156560 0.343147 V\n0.026909 0.332222 0.663812 V\n0.945350 0.656040 0.322551 V\n0.007893 0.000707 0.004768 V\n0.194918 0.296780 0.899016 O\n0.301389 0.797022 0.893541 O\n0.301503 0.138474 0.564746 O\n0.695182 0.199462 0.107564 O\n0.793017 0.696248 0.099714 O\n0.805101 0.368827 0.436848 O\n0.704944 0.863181 0.437039 O\n0.207738 0.956397 0.239708 F\n0.798149 0.042541 0.767860 F\n0.702332 0.541473 0.759747 F\n0.294631 0.460534 0.240051 F\n0.203729 0.639977 0.558201 F\n","nsites":18,"nelements":3,"elements":["V","O","F"],"chemical_system":"F-O-V","density":4.361034046514406,"density_atomic":0.09221532308637069,"volume":195.19532543567456,"volume_molar":6.530520697042447,"formula_full":"V6 O7 F5","formula_reduced":"V6O7F5","formula_anonymous":"A5B6C7","energy_above_hull":2.80451450625,"spacegroup":1},{"id":"jvasp-90796","created_at":"2022-09-04T14:35:52.660801Z","updated_at":"2022-09-04T14:35:52.660816Z","structure_string":"Ce1 Al4 Si2 Ir1\n1.0\n4.264424 -0.000000 -0.000000\n0.000000 4.264424 -0.000000\n0.000000 0.000000 7.982966\nCe Al Si Ir\n1 4 2 1\ndirect\n0.000000 0.000000 0.500000 Ce\n0.000000 0.500000 0.830497 Al\n0.500000 0.000000 0.830497 Al\n0.000000 0.500000 0.169504 Al\n0.500000 0.000000 0.169504 Al\n0.500000 0.500000 0.642998 Si\n0.500000 0.500000 0.357002 Si\n0.000000 0.000000 0.000000 Ir\n","nsites":8,"nelements":4,"elements":["Ce","Al","Si","Ir"],"chemical_system":"Al-Ce-Ir-Si","density":5.678350732002748,"density_atomic":0.05510676916218679,"volume":145.17272780871804,"volume_molar":10.928132517215829,"formula_full":"Ce1 Al4 Si2 Ir1","formula_reduced":"CeAl4Si2Ir","formula_anonymous":"ABC2D4","energy_above_hull":2.804545625,"spacegroup":123},{"id":"jvasp-118957","created_at":"2022-09-04T14:38:30.963134Z","updated_at":"2022-09-04T14:38:30.963154Z","structure_string":"V6 O7 F5\n1.0\n5.194960 -0.027310 1.926450\n1.332043 5.021356 1.926450\n0.033583 0.025695 7.466710\nV O F\n6 7 5\ndirect\n0.666636 0.666639 0.832443 V\n0.334687 0.334689 0.653036 V\n0.653941 0.653943 0.329521 V\n0.341378 0.341379 0.184250 V\n0.998115 0.998118 0.497974 V\n0.002730 0.002730 0.001433 V\n0.299567 0.702382 0.000774 O\n0.372162 0.967983 0.331686 O\n0.032440 0.628647 0.668927 O\n0.434027 0.434028 0.369572 O\n0.967982 0.372164 0.331686 O\n0.628646 0.032441 0.668927 O\n0.702382 0.299568 0.000774 O\n0.097846 0.097847 0.698902 F\n0.235445 0.235447 0.965943 F\n0.566194 0.566196 0.632949 F\n0.898443 0.898445 0.300608 F\n0.767365 0.767367 0.030594 F\n","nsites":18,"nelements":3,"elements":["V","O","F"],"chemical_system":"F-O-V","density":4.375984076807783,"density_atomic":0.09253144579005762,"volume":194.52846377046532,"volume_molar":6.508209948068348,"formula_full":"V6 O7 F5","formula_reduced":"V6O7F5","formula_anonymous":"A5B6C7","energy_above_hull":2.804628395138889,"spacegroup":8}]}