{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-structure_string&page=4355","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-structure_string&page=4353","results":[{"id":"jvasp-66450","created_at":"2022-09-04T14:35:44.938857Z","updated_at":"2022-09-04T14:35:44.938884Z","structure_string":"Ba1 V1 Bi1\n1.0\n0.000000 3.899179 3.899179\n3.899179 -0.000000 3.899179\n3.899179 3.899179 -0.000000\nBa V Bi\n1 1 1\ndirect\n0.750000 0.750000 0.750000 Ba\n0.500000 0.500000 0.500000 V\n0.000000 0.000000 0.000000 Bi\n","nsites":3,"nelements":3,"elements":["Ba","V","Bi"],"chemical_system":"Ba-Bi-V","density":5.563681836542649,"density_atomic":0.025302983979384602,"volume":118.56309131145264,"volume_molar":23.800120827276693,"formula_full":"Ba1 V1 Bi1","formula_reduced":"BaVBi","formula_anonymous":"ABC","energy_above_hull":1.7222614899999995,"spacegroup":216},{"id":"jvasp-122923","created_at":"2022-09-04T14:38:54.735523Z","updated_at":"2022-09-04T14:38:54.735543Z","structure_string":"Ba1 V1\n1.0\n3.811784 0.000000 0.000000\n0.000000 3.811784 0.000000\n-0.000000 -0.000000 3.811784\nBa V\n1 1\ndirect\n0.000000 0.000000 0.000000 Ba\n0.499999 0.499999 0.499999 V\n","nsites":2,"nelements":2,"elements":["Ba","V"],"chemical_system":"Ba-V","density":5.644713598804507,"density_atomic":0.036111468305780575,"volume":55.38406755063593,"volume_molar":16.6765325325639,"formula_full":"Ba1 V1","formula_reduced":"BaV","formula_anonymous":"AB","energy_above_hull":null,"spacegroup":221},{"id":"jvasp-7853","created_at":"2022-09-04T14:37:04.409607Z","updated_at":"2022-09-04T14:37:04.409629Z","structure_string":"Ba1 Tm2 Ni1 O5\n1.0\n3.561941 -0.000000 -1.058992\n-0.738330 5.092340 -2.483388\n0.023133 0.015596 6.597632\nBa Tm Ni O\n1 2 1 5\ndirect\n0.499999 0.500000 -0.000000 Ba\n0.297955 0.797956 0.595910 Tm\n0.702043 0.202045 0.404091 Tm\n0.000000 0.000000 0.000000 Ni\n0.500001 -0.000000 0.000001 O\n0.151854 0.912385 0.303706 O\n0.848147 0.087616 0.696295 O\n0.848146 0.608680 0.696294 O\n0.151852 0.391321 0.303704 O\n","nsites":9,"nelements":4,"elements":["Ba","Tm","Ni","O"],"chemical_system":"Ba-Ni-O-Tm","density":8.498612160322073,"density_atomic":0.07503326081161883,"volume":119.94680629162205,"volume_molar":8.025961680006684,"formula_full":"Ba1 Tm2 Ni1 O5","formula_reduced":"BaTm2NiO5","formula_anonymous":"ABC2D5","energy_above_hull":1.7132004855555554,"spacegroup":71},{"id":"jvasp-21503","created_at":"2022-09-04T14:38:31.376089Z","updated_at":"2022-09-04T14:38:31.376124Z","structure_string":"Ba1 Tm2 F8\n1.0\n4.219006 0.009947 -0.386729\n-0.801393 5.706217 -2.436338\n0.008842 -0.001317 6.256101\nBa Tm F\n1 2 8\ndirect\n0.000000 0.000000 0.000000 Ba\n0.500001 0.324417 0.675583 Tm\n0.500001 0.675584 0.324417 Tm\n0.000001 0.737534 0.262466 F\n-0.000000 0.262466 0.737534 F\n0.225247 0.395005 0.395005 F\n0.437482 0.671124 0.953008 F\n0.562519 0.046992 0.328876 F\n0.562520 0.328876 0.046991 F\n0.437482 0.953009 0.671124 F\n0.774755 0.604995 0.604995 F\n","nsites":11,"nelements":3,"elements":["Ba","Tm","F"],"chemical_system":"Ba-F-Tm","density":6.912286754186604,"density_atomic":0.0730081428830572,"volume":150.66812502845818,"volume_molar":8.248587790605947,"formula_full":"Ba1 Tm2 F8","formula_reduced":"BaTm2F8","formula_anonymous":"AB2C8","energy_above_hull":0.0,"spacegroup":12},{"id":"jvasp-108687","created_at":"2022-09-04T14:38:16.378376Z","updated_at":"2022-09-04T14:38:16.378386Z","structure_string":"Ba1 Tm1 Fe1 Cu1 O5\n1.0\n3.870666 0.000000 0.000000\n0.000000 3.870666 0.000000\n-0.000000 -0.000000 7.627672\nBa Tm Fe Cu O\n1 1 1 1 5\ndirect\n0.500000 0.500000 0.730460 Ba\n0.500000 0.500000 0.204011 Tm\n0.000000 0.000000 0.441192 Fe\n0.000000 0.000000 0.002950 Cu\n0.500000 0.000000 0.025372 O\n-0.000000 0.500000 0.025372 O\n0.500000 0.000000 0.387235 O\n-0.000000 0.500000 0.387235 O\n0.000000 0.000000 0.684173 O\n","nsites":9,"nelements":5,"elements":["Ba","Tm","Fe","Cu","O"],"chemical_system":"Ba-Cu-Fe-O-Tm","density":7.347422700320451,"density_atomic":0.07875517567970876,"volume":114.27820358883214,"volume_molar":7.646660309020937,"formula_full":"Ba1 Tm1 Fe1 Cu1 O5","formula_reduced":"BaTmFeCuO5","formula_anonymous":"ABCDE5","energy_above_hull":1.8647692966666665,"spacegroup":99},{"id":"jvasp-69222","created_at":"2022-09-04T14:36:10.220884Z","updated_at":"2022-09-04T14:36:10.220911Z","structure_string":"Ba1 Tl2 Cl1\n1.0\n4.085775 0.000000 0.000000\n0.000000 6.013705 0.000000\n0.000000 0.000000 6.035644\nBa Tl Cl\n1 2 1\ndirect\n0.499999 0.500000 0.500000 Ba\n0.000000 0.746453 0.000000 Tl\n0.000000 0.253546 0.000000 Tl\n0.499999 0.000000 0.500000 Cl\n","nsites":4,"nelements":3,"elements":["Ba","Tl","Cl"],"chemical_system":"Ba-Cl-Tl","density":6.511685780980533,"density_atomic":0.026972413472287123,"volume":148.29966936810496,"volume_molar":22.327037089904707,"formula_full":"Ba1 Tl2 Cl1","formula_reduced":"BaTl2Cl","formula_anonymous":"ABC2","energy_above_hull":0.0,"spacegroup":47},{"id":"jvasp-65715","created_at":"2022-09-04T14:35:55.822040Z","updated_at":"2022-09-04T14:35:55.822067Z","structure_string":"Ba1 Tl2 Br1\n1.0\n4.125387 -0.000000 0.000000\n-0.000000 5.968576 0.000000\n0.000000 0.000000 6.219463\nBa Tl Br\n1 2 1\ndirect\n0.500000 0.500000 0.000000 Ba\n0.000000 0.000000 0.754196 Tl\n0.000000 0.000000 0.245804 Tl\n0.500000 0.500000 0.500000 Br\n","nsites":4,"nelements":3,"elements":["Ba","Tl","Br"],"chemical_system":"Ba-Br-Tl","density":6.787869014901405,"density_atomic":0.026119910160872947,"volume":153.13988353573714,"volume_molar":23.055748365555388,"formula_full":"Ba1 Tl2 Br1","formula_reduced":"BaTl2Br","formula_anonymous":"ABC2","energy_above_hull":0.0,"spacegroup":47},{"id":"jvasp-69320","created_at":"2022-09-04T14:35:41.601262Z","updated_at":"2022-09-04T14:35:41.601301Z","structure_string":"Ba1 Tl2 Bi1\n1.0\n4.245892 -0.000000 -0.000000\n0.000000 4.245892 -0.000000\n0.000000 -0.000000 7.553175\nBa Tl Bi\n1 2 1\ndirect\n0.500000 0.500000 0.500000 Ba\n0.000000 0.000000 0.789125 Tl\n0.000000 0.000000 0.210875 Tl\n0.500000 0.500000 0.000000 Bi\n","nsites":4,"nelements":3,"elements":["Ba","Tl","Bi"],"chemical_system":"Ba-Bi-Tl","density":9.208124453113777,"density_atomic":0.02937599314049348,"volume":136.16560913769348,"volume_molar":20.50021162245831,"formula_full":"Ba1 Tl2 Bi1","formula_reduced":"BaTl2Bi","formula_anonymous":"ABC2","energy_above_hull":3.999999999999837e-05,"spacegroup":123},{"id":"jvasp-68942","created_at":"2022-09-04T14:36:19.826187Z","updated_at":"2022-09-04T14:36:19.826215Z","structure_string":"Ba1 Tl2 Bi1\n1.0\n4.244951 0.000000 0.000000\n0.000000 4.244951 0.000000\n0.000000 -0.000000 7.552854\nBa Tl Bi\n1 2 1\ndirect\n0.500000 0.500000 0.000000 Ba\n0.000000 0.000000 0.710898 Tl\n0.000000 0.000000 0.289102 Tl\n0.500000 0.500000 0.500000 Bi\n","nsites":4,"nelements":3,"elements":["Ba","Tl","Bi"],"chemical_system":"Ba-Bi-Tl","density":9.212598853019598,"density_atomic":0.029390267485025906,"volume":136.0994758566919,"volume_molar":20.490255024280508,"formula_full":"Ba1 Tl2 Bi1","formula_reduced":"BaTl2Bi","formula_anonymous":"ABC2","energy_above_hull":0.0,"spacegroup":123},{"id":"jvasp-65671","created_at":"2022-09-04T14:35:41.906267Z","updated_at":"2022-09-04T14:35:41.906297Z","structure_string":"Ba1 Tl2 Bi1\n1.0\n4.244773 0.000000 0.000000\n0.000000 4.245448 0.000000\n0.000000 0.000000 7.552282\nBa Tl Bi\n1 2 1\ndirect\n0.500000 0.500000 0.000000 Ba\n0.000000 0.000000 0.710909 Tl\n0.000000 0.000000 0.289091 Tl\n0.500000 0.500000 0.500000 Bi\n","nsites":4,"nelements":3,"elements":["Ba","Tl","Bi"],"chemical_system":"Ba-Bi-Tl","density":9.21260433877647,"density_atomic":0.029390284985827193,"volume":136.09939481461,"volume_molar":20.490242823109888,"formula_full":"Ba1 Tl2 Bi1","formula_reduced":"BaTl2Bi","formula_anonymous":"ABC2","energy_above_hull":0.0,"spacegroup":123},{"id":"jvasp-66528","created_at":"2022-09-04T14:35:49.492358Z","updated_at":"2022-09-04T14:35:49.492391Z","structure_string":"Ba1 Tl1 Zn1\n1.0\n-0.000000 3.888799 3.888799\n3.888799 0.000000 3.888799\n3.888799 3.888799 0.000000\nBa Tl Zn\n1 1 1\ndirect\n0.750000 0.750000 0.750000 Ba\n0.000000 0.000000 0.000000 Tl\n0.500000 0.500000 0.500000 Zn\n","nsites":3,"nelements":3,"elements":["Ba","Tl","Zn"],"chemical_system":"Ba-Tl-Zn","density":5.747702800873767,"density_atomic":0.02550614180570886,"volume":117.61872974957471,"volume_molar":23.610551552144617,"formula_full":"Ba1 Tl1 Zn1","formula_reduced":"BaTlZn","formula_anonymous":"ABC","energy_above_hull":0.0,"spacegroup":216},{"id":"jvasp-114582","created_at":"2022-09-04T14:38:41.742633Z","updated_at":"2022-09-04T14:38:41.742653Z","structure_string":"Ba1 Tl1 Te1\n1.0\n6.496919 1.213556 0.000000\n1.147119 5.096136 0.000000\n0.000000 0.000000 4.273268\nBa Tl Te\n1 1 1\ndirect\n0.457714 -0.212383 0.000000 Ba\n-0.180513 0.106751 0.000000 Tl\n0.096837 0.468045 0.000000 Te\n","nsites":3,"nelements":3,"elements":["Ba","Tl","Te"],"chemical_system":"Ba-Te-Tl","density":5.7498395093771455,"density_atomic":0.02213440204796995,"volume":135.5356242964397,"volume_molar":27.20715358358786,"formula_full":"Ba1 Tl1 Te1","formula_reduced":"BaTlTe","formula_anonymous":"ABC","energy_above_hull":0.05012,"spacegroup":38}]}