{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-formula_full&page=4398","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-formula_full&page=4396","results":[{"id":"jvasp-15124","created_at":"2022-09-04T14:36:57.139375Z","updated_at":"2022-09-04T14:36:57.139392Z","structure_string":"Ba1 Nb1 O3\n1.0\n4.149526 0.000000 -0.000000\n0.000000 4.149526 0.000000\n-0.000000 0.000000 4.149526\nBa Nb O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Ba\n0.500000 0.500000 0.500000 Nb\n0.500000 0.000000 0.500000 O\n0.500000 0.500000 0.000000 O\n0.000000 0.500000 0.500000 O\n","nsites":5,"nelements":3,"elements":["Ba","Nb","O"],"chemical_system":"Ba-Nb-O","density":6.466362527825747,"density_atomic":0.06998009600709841,"volume":71.44888740210969,"volume_molar":8.605505141617904,"formula_full":"Ba1 Nb1 O3","formula_reduced":"BaNbO3","formula_anonymous":"ABC3","energy_above_hull":2.052573174,"spacegroup":221},{"id":"jvasp-66165","created_at":"2022-09-04T14:35:43.590244Z","updated_at":"2022-09-04T14:35:43.590266Z","structure_string":"Ba1 Nb1 Hg1\n1.0\n-0.000000 3.898353 3.898353\n3.898353 0.000000 3.898353\n3.898353 3.898353 -0.000000\nBa Nb Hg\n1 1 1\ndirect\n0.749999 0.749999 0.749999 Ba\n0.500000 0.500000 0.500000 Nb\n0.000000 0.000000 0.000000 Hg\n","nsites":3,"nelements":3,"elements":["Ba","Nb","Hg"],"chemical_system":"Ba-Hg-Nb","density":6.037746547695463,"density_atomic":0.025319071306662666,"volume":118.48775824611528,"volume_molar":23.784998616498562,"formula_full":"Ba1 Nb1 Hg1","formula_reduced":"BaNbHg","formula_anonymous":"ABC","energy_above_hull":1.5151299899999997,"spacegroup":216},{"id":"jvasp-65360","created_at":"2022-09-04T14:35:55.963460Z","updated_at":"2022-09-04T14:35:55.963483Z","structure_string":"Ba1 Nb1 Cr2\n1.0\n4.772200 0.000000 0.000000\n0.000000 4.772200 -0.000000\n0.000000 0.000000 3.203784\nBa Nb Cr\n1 1 2\ndirect\n0.500000 0.500000 0.499999 Ba\n0.000000 0.000000 0.499999 Nb\n0.000000 0.500000 0.000000 Cr\n0.500000 0.000000 0.000000 Cr\n","nsites":4,"nelements":3,"elements":["Ba","Nb","Cr"],"chemical_system":"Ba-Cr-Nb","density":7.606559769507272,"density_atomic":0.05482258257690047,"volume":72.96263349850656,"volume_molar":10.984781228707444,"formula_full":"Ba1 Nb1 Cr2","formula_reduced":"BaNbCr2","formula_anonymous":"ABC2","energy_above_hull":4.0439625425,"spacegroup":123},{"id":"jvasp-66584","created_at":"2022-09-04T14:36:05.826328Z","updated_at":"2022-09-04T14:36:05.826337Z","structure_string":"Ba1 Nb1 Cl1\n1.0\n-0.000000 3.893765 3.893765\n3.893765 -0.000000 3.893765\n3.893765 3.893765 0.000000\nBa Nb Cl\n1 1 1\ndirect\n0.749999 0.749999 0.749999 Ba\n0.499999 0.499999 0.499999 Nb\n0.000000 0.000000 0.000000 Cl\n","nsites":3,"nelements":3,"elements":["Ba","Nb","Cl"],"chemical_system":"Ba-Cl-Nb","density":3.7366221355896196,"density_atomic":0.025408676735964635,"volume":118.06990309549096,"volume_molar":23.701119198686875,"formula_full":"Ba1 Nb1 Cl1","formula_reduced":"BaNbCl","formula_anonymous":"ABC","energy_above_hull":1.792973145833333,"spacegroup":216},{"id":"jvasp-66518","created_at":"2022-09-04T14:36:19.970216Z","updated_at":"2022-09-04T14:36:19.970235Z","structure_string":"Ba1 Nb1 Cd1\n1.0\n0.000000 3.912129 3.912129\n3.912129 0.000000 3.912129\n3.912129 3.912129 0.000000\nBa Nb Cd\n1 1 1\ndirect\n0.750000 0.750000 0.750000 Ba\n0.500000 0.500000 0.500000 Nb\n0.000000 0.000000 0.000000 Cd\n","nsites":3,"nelements":3,"elements":["Ba","Nb","Cd"],"chemical_system":"Ba-Cd-Nb","density":4.751417730357051,"density_atomic":0.025052539654954943,"volume":119.74833854445785,"volume_molar":24.038045016361956,"formula_full":"Ba1 Nb1 Cd1","formula_reduced":"BaNbCd","formula_anonymous":"ABC","energy_above_hull":1.4617550399999997,"spacegroup":216},{"id":"jvasp-65734","created_at":"2022-09-04T14:35:43.646147Z","updated_at":"2022-09-04T14:35:43.646176Z","structure_string":"Ba1 Nb1 Br2\n1.0\n3.776588 0.000000 0.000000\n0.000000 3.777940 0.000000\n0.000000 0.000000 7.766790\nBa Nb Br\n1 1 2\ndirect\n0.500000 0.500000 0.756261 Ba\n0.000000 0.000000 0.413107 Nb\n0.000000 0.000000 0.015743 Br\n0.500000 0.500000 0.314890 Br\n","nsites":4,"nelements":3,"elements":["Ba","Nb","Br"],"chemical_system":"Ba-Br-Nb","density":5.844717892411004,"density_atomic":0.03609638942694047,"volume":110.8144072995458,"volume_molar":16.68349897484591,"formula_full":"Ba1 Nb1 Br2","formula_reduced":"BaNbBr2","formula_anonymous":"ABC2","energy_above_hull":1.144873395,"spacegroup":99},{"id":"jvasp-66342","created_at":"2022-09-04T14:36:01.124200Z","updated_at":"2022-09-04T14:36:01.124219Z","structure_string":"Ba1 Nb1 Br1\n1.0\n0.000000 3.975575 3.975575\n3.975575 0.000000 3.975575\n3.975575 3.975575 0.000000\nBa Nb Br\n1 1 1\ndirect\n0.749999 0.749999 0.749999 Ba\n0.499999 0.499999 0.499999 Nb\n0.000000 0.000000 0.000000 Br\n","nsites":3,"nelements":3,"elements":["Ba","Nb","Br"],"chemical_system":"Ba-Br-Nb","density":4.098013292273406,"density_atomic":0.023872142942862884,"volume":125.66948879203647,"volume_molar":25.226645024762867,"formula_full":"Ba1 Nb1 Br1","formula_reduced":"BaNbBr","formula_anonymous":"ABC","energy_above_hull":1.766383158333333,"spacegroup":216},{"id":"jvasp-65428","created_at":"2022-09-04T14:35:50.917369Z","updated_at":"2022-09-04T14:35:50.917392Z","structure_string":"Ba1 Nb1 Bi2\n1.0\n3.309056 -0.000000 0.000000\n0.000000 3.309056 -0.000000\n-0.000000 -0.000000 11.473976\nBa Nb Bi\n1 1 2\ndirect\n0.500001 0.500001 0.733769 Ba\n0.000000 0.000000 0.480768 Nb\n0.000000 0.000000 0.987030 Bi\n0.500001 0.500001 0.298434 Bi\n","nsites":4,"nelements":3,"elements":["Ba","Nb","Bi"],"chemical_system":"Ba-Bi-Nb","density":8.567064838510575,"density_atomic":0.0318374166058612,"volume":125.63833458973579,"volume_molar":18.915293393784143,"formula_full":"Ba1 Nb1 Bi2","formula_reduced":"BaNbBi2","formula_anonymous":"ABC2","energy_above_hull":1.8362484925,"spacegroup":99},{"id":"jvasp-66048","created_at":"2022-09-04T14:36:00.492082Z","updated_at":"2022-09-04T14:36:00.492109Z","structure_string":"Ba1 Nb1 Bi1\n1.0\n0.000000 3.908023 3.908023\n3.908023 0.000000 3.908023\n3.908023 3.908023 -0.000000\nBa Nb Bi\n1 1 1\ndirect\n0.749999 0.749999 0.749999 Ba\n0.500000 0.500000 0.500000 Nb\n0.000000 0.000000 0.000000 Bi\n","nsites":3,"nelements":3,"elements":["Ba","Nb","Bi"],"chemical_system":"Ba-Bi-Nb","density":6.10975402353362,"density_atomic":0.02513158768703315,"volume":119.37168623643602,"volume_molar":23.962436575812415,"formula_full":"Ba1 Nb1 Bi1","formula_reduced":"BaNbBi","formula_anonymous":"ABC","energy_above_hull":2.17222989,"spacegroup":216},{"id":"jvasp-112606","created_at":"2022-09-04T14:38:41.378039Z","updated_at":"2022-09-04T14:38:41.378064Z","structure_string":"Ba1 Na3 P2 O8\n1.0\n5.563532 -0.000000 0.000000\n-2.781766 4.818161 0.000000\n-0.000000 -0.000000 7.053400\nBa Na P O\n1 3 2 8\ndirect\n0.000000 0.000000 0.000000 Ba\n0.333333 0.666667 0.668004 Na\n0.666666 0.333333 0.331996 Na\n0.000000 0.000000 0.500000 Na\n0.333333 0.666667 0.221414 P\n0.666666 0.333333 0.778586 P\n0.333333 0.666667 0.001896 O\n0.666666 0.333333 0.998105 O\n0.183137 0.816862 0.299734 O\n0.816861 0.183138 0.700266 O\n0.183138 0.366276 0.299734 O\n0.816861 0.633724 0.700266 O\n0.633723 0.816862 0.299734 O\n0.366276 0.183138 0.700266 O\n","nsites":14,"nelements":4,"elements":["Ba","Na","P","O"],"chemical_system":"Ba-Na-O-P","density":3.479973521664315,"density_atomic":0.07404532162781982,"volume":189.0733903536724,"volume_molar":8.133046933430297,"formula_full":"Ba1 Na3 P2 O8","formula_reduced":"BaNa3(PO4)2","formula_anonymous":"AB2C3D8","energy_above_hull":1.8440051407142852,"spacegroup":164},{"id":"jvasp-65321","created_at":"2022-09-04T14:36:12.089895Z","updated_at":"2022-09-04T14:36:12.089921Z","structure_string":"Ba1 Na2 Zr1\n1.0\n3.341010 0.000000 0.000000\n0.000000 5.281249 0.000000\n0.000000 0.000000 7.617705\nBa Na Zr\n1 2 1\ndirect\n0.500000 0.500000 0.728419 Ba\n0.000000 0.000000 0.020821 Na\n0.500000 0.500000 0.262207 Na\n0.000000 0.000000 0.488553 Zr\n","nsites":4,"nelements":3,"elements":["Ba","Na","Zr"],"chemical_system":"Ba-Na-Zr","density":3.3915731588962217,"density_atomic":0.029759211597955307,"volume":134.41216299812297,"volume_molar":20.236224135769003,"formula_full":"Ba1 Na2 Zr1","formula_reduced":"BaNa2Zr","formula_anonymous":"ABC2","energy_above_hull":0.7963771175000002,"spacegroup":25},{"id":"jvasp-69259","created_at":"2022-09-04T14:36:11.831745Z","updated_at":"2022-09-04T14:36:11.831764Z","structure_string":"Ba1 Na2 V1\n1.0\n3.977371 -0.000000 0.000000\n-0.000000 3.977371 -0.000000\n0.000000 0.000000 8.119900\nBa Na V\n1 2 1\ndirect\n0.500000 0.500000 0.500000 Ba\n0.000000 0.000000 0.811248 Na\n0.000000 0.000000 0.188752 Na\n0.500000 0.500000 0.000000 V\n","nsites":4,"nelements":3,"elements":["Ba","Na","V"],"chemical_system":"Ba-Na-V","density":3.028183397675847,"density_atomic":0.03113989220367375,"volume":128.45259623371777,"volume_molar":19.338990387672357,"formula_full":"Ba1 Na2 V1","formula_reduced":"BaNa2V","formula_anonymous":"ABC2","energy_above_hull":0.9230720425,"spacegroup":123}]}