{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-elements&page=3411","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-elements&page=3409","results":[{"id":"jvasp-111105","created_at":"2022-09-04T14:38:37.455154Z","updated_at":"2022-09-04T14:38:37.455182Z","structure_string":"Ba4 Bi2 O1\n1.0\n5.134973 0.007349 -8.736709\n-0.373905 5.121348 -8.736709\n-0.006823 -0.007349 10.134002\nBa Bi O\n4 2 1\ndirect\n0.997661 0.497661 0.500000 Ba\n0.497662 0.997661 0.500001 Ba\n0.833649 0.833649 0.000000 Ba\n0.177196 0.177196 0.000000 Ba\n0.636588 0.636588 0.000000 Bi\n0.361386 0.361386 0.000000 Bi\n0.978660 0.978661 0.000001 O\n","nsites":7,"nelements":3,"elements":["Ba","Bi","O"],"chemical_system":"Ba-Bi-O","density":6.141107062819036,"density_atomic":0.026328348478182,"volume":265.87311413782066,"volume_molar":22.873218823392886,"formula_full":"Ba4 Bi2 O1","formula_reduced":"Ba4Bi2O","formula_anonymous":"AB2C4","energy_above_hull":0.3004208542857142,"spacegroup":107},{"id":"jvasp-56864","created_at":"2022-09-04T14:38:02.580672Z","updated_at":"2022-09-04T14:38:02.580698Z","structure_string":"Ba6 Bi2 N2\n1.0\n3.840893 -6.652623 0.000000\n3.840893 6.652623 -0.000000\n-0.000000 -0.000000 6.746090\nBa Bi N\n6 2 2\ndirect\n0.159567 0.319135 0.250000 Ba\n0.319135 0.159567 0.750000 Ba\n0.840432 0.159567 0.750000 Ba\n0.840432 0.680864 0.750000 Ba\n0.159567 0.840432 0.250000 Ba\n0.680864 0.840432 0.250000 Ba\n0.333333 0.666666 0.750000 Bi\n0.666666 0.333333 0.250000 Bi\n0.000000 0.000000 0.000000 N\n0.000000 0.000000 0.500000 N\n","nsites":10,"nelements":3,"elements":["Ba","Bi","N"],"chemical_system":"Ba-Bi-N","density":6.116792559486227,"density_atomic":0.029006327881413673,"volume":344.752360274038,"volume_molar":20.761472409124888,"formula_full":"Ba6 Bi2 N2","formula_reduced":"Ba3BiN","formula_anonymous":"ABC3","energy_above_hull":0.947257092,"spacegroup":194},{"id":"jvasp-36501","created_at":"2022-09-04T14:37:29.131725Z","updated_at":"2022-09-04T14:37:29.131752Z","structure_string":"Ba3 Bi1 N1\n1.0\n6.563161 0.000000 -0.000000\n0.000000 6.563161 0.000000\n-0.000000 0.000000 6.563161\nBa Bi N\n3 1 1\ndirect\n0.000000 0.500000 0.500000 Ba\n0.500000 0.000000 0.500000 Ba\n0.500000 0.500000 0.000000 Ba\n0.500000 0.500000 0.500000 Bi\n0.000000 0.000000 0.000000 N\n","nsites":5,"nelements":3,"elements":["Ba","Bi","N"],"chemical_system":"Ba-Bi-N","density":3.7295963476564866,"density_atomic":0.01768604926084555,"volume":282.70870030138974,"volume_molar":34.05023174583246,"formula_full":"Ba3 Bi1 N1","formula_reduced":"Ba3BiN","formula_anonymous":"ABC3","energy_above_hull":1.266383092,"spacegroup":221},{"id":"jvasp-36466","created_at":"2022-09-04T14:37:29.538023Z","updated_at":"2022-09-04T14:37:29.538031Z","structure_string":"Ba3 Bi1 N1\n1.0\n5.567821 0.000000 -0.000000\n0.000000 5.567821 0.000000\n0.000000 0.000000 5.567821\nBa Bi N\n3 1 1\ndirect\n0.000000 0.500000 0.500000 Ba\n0.500000 0.000000 0.500000 Ba\n0.500000 0.500000 0.000000 Ba\n0.000000 0.000000 0.000000 Bi\n0.500000 0.500000 0.500000 N\n","nsites":5,"nelements":3,"elements":["Ba","Bi","N"],"chemical_system":"Ba-Bi-N","density":6.108649553399673,"density_atomic":0.028967713084166607,"volume":172.60596255811916,"volume_molar":20.789148050805665,"formula_full":"Ba3 Bi1 N1","formula_reduced":"Ba3BiN","formula_anonymous":"ABC3","energy_above_hull":0.959009092,"spacegroup":221},{"id":"jvasp-66289","created_at":"2022-09-04T14:35:45.947216Z","updated_at":"2022-09-04T14:35:45.947247Z","structure_string":"Ba1 Bi1 Mo1\n1.0\n-0.000000 3.929077 3.929077\n3.929077 0.000000 3.929077\n3.929077 3.929077 0.000000\nBa Bi Mo\n1 1 1\ndirect\n0.750001 0.750001 0.750001 Ba\n0.000000 0.000000 0.000000 Bi\n0.500000 0.500000 0.500000 Mo\n","nsites":3,"nelements":3,"elements":["Ba","Bi","Mo"],"chemical_system":"Ba-Bi-Mo","density":6.053586747870644,"density_atomic":0.024729745055242315,"volume":121.31140023071315,"volume_molar":24.351810932735034,"formula_full":"Ba1 Bi1 Mo1","formula_reduced":"BaBiMo","formula_anonymous":"ABC","energy_above_hull":2.3806420566666664,"spacegroup":216},{"id":"jvasp-69280","created_at":"2022-09-04T14:35:42.476437Z","updated_at":"2022-09-04T14:35:42.476466Z","structure_string":"Ba2 Bi1 Mo1\n1.0\n-0.000000 4.226271 4.226271\n4.226271 0.000000 4.226271\n4.226271 4.226271 0.000000\nBa Bi Mo\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750000 Ba\n0.000000 0.000000 0.000000 Bi\n0.500000 0.500000 0.500000 Mo\n","nsites":4,"nelements":3,"elements":["Ba","Bi","Mo"],"chemical_system":"Ba-Bi-Mo","density":6.374648913729799,"density_atomic":0.02649463680060981,"volume":150.97395107178576,"volume_molar":22.72965961119117,"formula_full":"Ba2 Bi1 Mo1","formula_reduced":"Ba2BiMo","formula_anonymous":"ABC2","energy_above_hull":1.694960535,"spacegroup":225},{"id":"jvasp-66481","created_at":"2022-09-04T14:36:21.743316Z","updated_at":"2022-09-04T14:36:21.743342Z","structure_string":"Ba4 Bi1 Mo1\n1.0\n0.000000 4.981150 4.981150\n4.981150 -0.000000 4.981150\n4.981150 4.981150 0.000000\nBa Bi Mo\n4 1 1\ndirect\n0.126568 0.624478 0.624478 Ba\n0.624478 0.624478 0.624478 Ba\n0.624478 0.126568 0.624478 Ba\n0.624478 0.624478 0.126568 Ba\n0.250000 0.250000 0.250000 Bi\n0.000000 0.000000 0.000000 Mo\n","nsites":6,"nelements":3,"elements":["Ba","Bi","Mo"],"chemical_system":"Ba-Bi-Mo","density":5.738577452995871,"density_atomic":0.02427349959054003,"volume":247.18314627934183,"volume_molar":24.80952833989778,"formula_full":"Ba4 Bi1 Mo1","formula_reduced":"Ba4BiMo","formula_anonymous":"ABC4","energy_above_hull":1.2226456799999998,"spacegroup":216},{"id":"jvasp-66088","created_at":"2022-09-04T14:36:16.813812Z","updated_at":"2022-09-04T14:36:16.813834Z","structure_string":"Ba4 Bi1 Ir1\n1.0\n-0.000000 4.801239 4.801239\n4.801239 -0.000000 4.801239\n4.801239 4.801239 -0.000000\nBa Bi Ir\n4 1 1\ndirect\n0.123548 0.625484 0.625484 Ba\n0.625484 0.625484 0.625484 Ba\n0.625484 0.123548 0.625484 Ba\n0.625484 0.625484 0.123548 Ba\n0.250000 0.250000 0.250000 Bi\n0.000000 0.000000 0.000000 Ir\n","nsites":6,"nelements":3,"elements":["Ba","Bi","Ir"],"chemical_system":"Ba-Bi-Ir","density":7.130397065772038,"density_atomic":0.027105740684656453,"volume":221.35532357528882,"volume_molar":22.21721527576226,"formula_full":"Ba4 Bi1 Ir1","formula_reduced":"Ba4BiIr","formula_anonymous":"ABC4","energy_above_hull":0.9206098799999995,"spacegroup":216},{"id":"jvasp-53461","created_at":"2022-09-04T14:38:31.539863Z","updated_at":"2022-09-04T14:38:31.539893Z","structure_string":"Ba3 Bi2 F12\n1.0\n4.375017 0.012334 0.009298\n-2.141071 3.817518 -0.014179\n-1.515366 -1.392749 17.654517\nBa Bi F\n3 2 12\ndirect\n0.090153 0.988717 0.005298 Ba\n0.863644 0.397903 0.211762 Ba\n0.638482 0.811180 0.417668 Ba\n0.453251 0.296922 0.620813 Bi\n0.400823 0.713079 0.821156 Bi\n0.409004 0.130129 0.746141 F\n0.680285 0.746789 0.707359 F\n0.969078 0.863481 0.852075 F\n0.676674 0.802026 0.564634 F\n0.332898 0.163706 0.478140 F\n0.039482 0.483794 0.626953 F\n0.665777 0.207918 0.888902 F\n0.556823 0.752733 0.265497 F\n0.171995 0.043904 0.161088 F\n0.783906 0.342746 0.061857 F\n0.947198 0.456253 0.368248 F\n0.390526 0.618716 0.952410 F\n","nsites":17,"nelements":3,"elements":["Ba","Bi","F"],"chemical_system":"Ba-Bi-F","density":5.948493275676092,"density_atomic":0.057564254982204924,"volume":295.32215791301877,"volume_molar":10.461597673524393,"formula_full":"Ba3 Bi2 F12","formula_reduced":"Ba3Bi2F12","formula_anonymous":"A2B3C12","energy_above_hull":0.0,"spacegroup":1},{"id":"jvasp-114534","created_at":"2022-09-04T14:38:41.604006Z","updated_at":"2022-09-04T14:38:41.604032Z","structure_string":"Ba1 Bi1 F2\n1.0\n3.687322 0.000000 0.000000\n0.000000 3.687322 0.000000\n0.000000 0.000000 7.139328\nBa Bi F\n1 1 2\ndirect\n0.499999 0.499999 0.485687 Ba\n0.000000 0.000000 0.935077 Bi\n0.000000 0.000000 0.442715 F\n0.499999 0.499999 0.146521 F\n","nsites":4,"nelements":3,"elements":["Ba","Bi","F"],"chemical_system":"Ba-Bi-F","density":6.5742281450846605,"density_atomic":0.04120790418882629,"volume":97.06875607337047,"volume_molar":14.614042811798546,"formula_full":"Ba1 Bi1 F2","formula_reduced":"BaBiF2","formula_anonymous":"ABC2","energy_above_hull":0.0,"spacegroup":99},{"id":"jvasp-114533","created_at":"2022-09-04T14:38:41.016957Z","updated_at":"2022-09-04T14:38:41.016983Z","structure_string":"Ba1 Bi1 F1\n1.0\n3.532466 -0.000000 -0.000000\n-0.000000 3.532466 -0.000000\n-0.000000 -0.000000 8.510194\nBa Bi F\n1 1 1\ndirect\n0.000000 0.000000 0.282683 Ba\n0.000000 0.000000 0.714594 Bi\n0.000000 0.000000 0.010180 F\n","nsites":3,"nelements":3,"elements":["Ba","Bi","F"],"chemical_system":"Ba-Bi-F","density":5.712289737432782,"density_atomic":0.02825047883549059,"volume":106.19289030354953,"volume_molar":21.31695110397381,"formula_full":"Ba1 Bi1 F1","formula_reduced":"BaBiF","formula_anonymous":"ABC","energy_above_hull":0.1272133783333333,"spacegroup":99},{"id":"jvasp-114532","created_at":"2022-09-04T14:38:40.777953Z","updated_at":"2022-09-04T14:38:40.777962Z","structure_string":"Ba1 Bi1 F1\n1.0\n5.701986 -0.000000 -0.000000\n-2.850993 4.938065 0.000000\n-0.000000 0.000000 3.475756\nBa Bi F\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Ba\n0.333334 0.666667 0.000000 Bi\n0.666668 0.333333 0.000000 F\n","nsites":3,"nelements":3,"elements":["Ba","Bi","F"],"chemical_system":"Ba-Bi-F","density":6.198312079742611,"density_atomic":0.03065413210346542,"volume":97.86608832617554,"volume_molar":19.64544531769406,"formula_full":"Ba1 Bi1 F1","formula_reduced":"BaBiF","formula_anonymous":"ABC","energy_above_hull":0.1534433783333333,"spacegroup":187}]}