{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-formula_reduced&page=604","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=-formula_reduced&page=602","results":[{"id":"jvasp-11999","created_at":"2022-09-04T14:37:12.793234Z","updated_at":"2022-09-04T14:37:12.793259Z","structure_string":"Ti2 Br2 O2\n1.0\n3.380318 -0.000000 0.000000\n-0.000000 4.043537 0.000000\n0.000000 0.000000 7.993130\nTi Br O\n2 2 2\ndirect\n0.250000 0.750001 0.919294 Ti\n0.750000 0.250000 0.080706 Ti\n0.750000 0.750001 0.674405 Br\n0.250000 0.250000 0.325595 Br\n0.250000 0.250000 0.932104 O\n0.750000 0.750001 0.067896 O\n","nsites":6,"nelements":3,"elements":["Ti","Br","O"],"chemical_system":"Br-O-Ti","density":4.3703147737823915,"density_atomic":0.054918086217302625,"volume":109.25362504911224,"volume_molar":10.965678476433599,"formula_full":"Ti2 Br2 O2","formula_reduced":"TiBrO","formula_anonymous":"ABC","energy_above_hull":1.0623353127777782,"spacegroup":59},{"id":"jvasp-3891","created_at":"2022-09-04T14:36:18.413528Z","updated_at":"2022-09-04T14:36:18.413548Z","structure_string":"Ti2 Br2 N2\n1.0\n3.373464 0.000000 0.000000\n0.000000 3.946651 0.000000\n0.000000 0.000000 8.355622\nTi Br N\n2 2 2\ndirect\n0.000000 0.500000 0.909698 Ti\n0.499999 0.000000 0.090301 Ti\n0.499999 0.500000 0.671756 Br\n0.000000 0.000000 0.328244 Br\n0.000000 0.000000 0.957898 N\n0.499999 0.500000 0.042102 N\n","nsites":6,"nelements":3,"elements":["Ti","Br","N"],"chemical_system":"Br-N-Ti","density":4.232563003609578,"density_atomic":0.05393462482205683,"volume":111.24579098854268,"volume_molar":11.165630204842392,"formula_full":"Ti2 Br2 N2","formula_reduced":"TiBrN","formula_anonymous":"ABC","energy_above_hull":2.133125229444444,"spacegroup":59},{"id":"jvasp-5368","created_at":"2022-09-04T14:36:31.502478Z","updated_at":"2022-09-04T14:36:31.502508Z","structure_string":"Ti4 Br16\n1.0\n0.000000 10.150710 0.036075\n6.791957 0.000000 0.000000\n0.000000 -2.042607 -9.940887\nTi Br\n4 16\ndirect\n0.630631 0.421038 0.750197 Ti\n0.869369 0.921038 0.249804 Ti\n0.369368 0.578963 0.249804 Ti\n0.130631 0.078962 0.750197 Ti\n0.051312 0.082532 0.190440 Br\n0.448688 0.582532 0.809561 Br\n0.196156 0.914345 0.572305 Br\n0.303844 0.414345 0.427695 Br\n0.803844 0.085655 0.427696 Br\n0.696156 0.585655 0.572306 Br\n0.072381 0.403169 0.687878 Br\n0.927619 0.596831 0.312123 Br\n0.551312 0.417468 0.190440 Br\n0.572381 0.096831 0.687878 Br\n0.310474 0.077656 0.934580 Br\n0.189526 0.577657 0.065421 Br\n0.689526 0.922344 0.065421 Br\n0.810474 0.422344 0.934580 Br\n0.427619 0.903169 0.312123 Br\n0.948688 0.917468 0.809561 Br\n","nsites":20,"nelements":2,"elements":["Ti","Br"],"chemical_system":"Br-Ti","density":3.5640772994329373,"density_atomic":0.02920322189614635,"volume":684.8559405919248,"volume_molar":20.621494372833844,"formula_full":"Ti4 Br16","formula_reduced":"TiBr4","formula_anonymous":"AB4","energy_above_hull":0.4998269506666669,"spacegroup":14},{"id":"jvasp-55970","created_at":"2022-09-04T14:37:32.245711Z","updated_at":"2022-09-04T14:37:32.245724Z","structure_string":"Ti4 Br16\n1.0\n0.000000 10.151187 0.036283\n6.792156 0.000000 0.000000\n0.000000 -2.042903 -9.941585\nTi Br\n4 16\ndirect\n0.630655 0.421047 0.750186 Ti\n0.869346 0.921047 0.249815 Ti\n0.369345 0.578954 0.249814 Ti\n0.130655 0.078953 0.750186 Ti\n0.051274 0.082546 0.190445 Br\n0.448727 0.582546 0.809556 Br\n0.196193 0.914325 0.572329 Br\n0.303808 0.414325 0.427672 Br\n0.803808 0.085675 0.427672 Br\n0.696193 0.585676 0.572329 Br\n0.072416 0.403150 0.687857 Br\n0.927584 0.596851 0.312144 Br\n0.551274 0.417454 0.190445 Br\n0.572416 0.096851 0.687857 Br\n0.310481 0.077662 0.934567 Br\n0.189520 0.577662 0.065433 Br\n0.689520 0.922339 0.065434 Br\n0.810481 0.422338 0.934567 Br\n0.427584 0.903150 0.312144 Br\n0.948727 0.917454 0.809556 Br\n","nsites":20,"nelements":2,"elements":["Ti","Br"],"chemical_system":"Br-Ti","density":3.5635702801546802,"density_atomic":0.029199067497898332,"volume":684.9533808379169,"volume_molar":20.624428367219114,"formula_full":"Ti4 Br16","formula_reduced":"TiBr4","formula_anonymous":"AB4","energy_above_hull":0.4998269506666669,"spacegroup":14},{"id":"jvasp-29655","created_at":"2022-09-04T14:38:33.810453Z","updated_at":"2022-09-04T14:38:33.810479Z","structure_string":"Ti2 Br6\n1.0\n5.721277 0.040831 4.375675\n2.185106 5.287719 4.375676\n0.060583 0.040829 7.202490\nTi Br\n2 6\ndirect\n0.333368 0.333368 0.333368 Ti\n0.666633 0.666632 0.666632 Ti\n0.740778 0.421471 0.080647 Br\n0.919353 0.259223 0.578530 Br\n0.259223 0.578529 0.919353 Br\n0.421471 0.080647 0.740777 Br\n0.578530 0.919353 0.259223 Br\n0.080648 0.740777 0.421471 Br\n","nsites":8,"nelements":2,"elements":["Ti","Br"],"chemical_system":"Br-Ti","density":4.437489000944754,"density_atomic":0.03716986761046674,"volume":215.22810045595276,"volume_molar":16.201673955664596,"formula_full":"Ti2 Br6","formula_reduced":"TiBr3","formula_anonymous":"AB3","energy_above_hull":0.5833826620833333,"spacegroup":148},{"id":"jvasp-18463","created_at":"2022-09-04T14:36:56.957022Z","updated_at":"2022-09-04T14:36:56.957038Z","structure_string":"Ti1 Br2\n1.0\n1.866824 -3.233433 0.000000\n1.866824 3.233433 -0.000000\n0.000000 0.000000 6.359038\nTi Br\n1 2\ndirect\n0.000000 0.000000 0.000000 Ti\n0.333332 0.666666 0.750682 Br\n0.666666 0.333332 0.249319 Br\n","nsites":3,"nelements":2,"elements":["Ti","Br"],"chemical_system":"Br-Ti","density":4.492050797903942,"density_atomic":0.03907802414647362,"volume":76.76949041116549,"volume_molar":15.41055591098363,"formula_full":"Ti1 Br2","formula_reduced":"TiBr2","formula_anonymous":"AB2","energy_above_hull":0.7117455144444442,"spacegroup":164},{"id":"jvasp-5386","created_at":"2022-09-04T14:38:13.198055Z","updated_at":"2022-09-04T14:38:13.198072Z","structure_string":"Ti1 Br2\n1.0\n1.867133 -3.233968 -0.000000\n1.867133 3.233968 0.000000\n0.000000 0.000000 6.354524\nTi Br\n1 2\ndirect\n0.000000 0.000000 0.000000 Ti\n0.333332 0.666666 0.750557 Br\n0.666666 0.333332 0.249442 Br\n","nsites":3,"nelements":2,"elements":["Ti","Br"],"chemical_system":"Br-Ti","density":4.49375430286474,"density_atomic":0.03909284357104976,"volume":76.74038841783442,"volume_molar":15.40471403430909,"formula_full":"Ti1 Br2","formula_reduced":"TiBr2","formula_anonymous":"AB2","energy_above_hull":0.7117488477777776,"spacegroup":164},{"id":"jvasp-114513","created_at":"2022-09-04T14:38:41.437323Z","updated_at":"2022-09-04T14:38:41.437346Z","structure_string":"Ti1 B1 O4\n1.0\n2.519092 -3.321748 0.000000\n2.519092 3.321748 0.000000\n0.000000 0.000000 3.382838\nTi B O\n1 1 4\ndirect\n0.500000 0.500000 0.500000 Ti\n0.000000 0.000000 0.000000 B\n0.260317 0.260317 0.000000 O\n0.219716 0.780284 0.500000 O\n0.780284 0.219716 0.500000 O\n0.739683 0.739683 0.000000 O\n","nsites":6,"nelements":3,"elements":["Ti","B","O"],"chemical_system":"B-O-Ti","density":3.59820067945896,"density_atomic":0.10598132464117296,"volume":56.6137479439377,"volume_molar":5.682265984492558,"formula_full":"Ti1 B1 O4","formula_reduced":"TiBO4","formula_anonymous":"ABC4","energy_above_hull":2.984849152777778,"spacegroup":65},{"id":"jvasp-114510","created_at":"2022-09-04T14:38:41.472734Z","updated_at":"2022-09-04T14:38:41.472755Z","structure_string":"Ti1 B1 O4\n1.0\n-1.797536 1.797536 4.402440\n1.797536 -1.797536 4.402440\n1.797536 1.797536 -4.402440\nTi B O\n1 1 4\ndirect\n0.750001 0.250000 0.500001 Ti\n0.000000 0.000000 0.000000 B\n0.981229 0.481228 0.500001 O\n0.824314 0.824314 0.000000 O\n0.518773 0.018772 0.500001 O\n0.175686 0.175686 0.000000 O\n","nsites":6,"nelements":3,"elements":["Ti","B","O"],"chemical_system":"B-O-Ti","density":3.580128849519931,"density_atomic":0.10544903735476283,"volume":56.89952369896146,"volume_molar":5.710949014868363,"formula_full":"Ti1 B1 O4","formula_reduced":"TiBO4","formula_anonymous":"ABC4","energy_above_hull":2.991982486111111,"spacegroup":119},{"id":"jvasp-58436","created_at":"2022-09-04T14:38:34.982311Z","updated_at":"2022-09-04T14:38:34.982340Z","structure_string":"Ti2 B2 O6\n1.0\n4.258141 -0.015719 3.709500\n1.678653 3.913328 3.709500\n-0.023944 -0.015719 5.647264\nTi B O\n2 2 6\ndirect\n0.500000 0.500000 0.500000 Ti\n0.000000 0.000000 0.000000 Ti\n0.750000 0.750000 0.750000 B\n0.250000 0.250000 0.250000 B\n0.455065 0.044935 0.749999 O\n0.750000 0.455065 0.044936 O\n0.955065 0.250000 0.544935 O\n0.544935 0.955065 0.250000 O\n0.250000 0.544935 0.955064 O\n0.044935 0.750000 0.455064 O\n","nsites":10,"nelements":3,"elements":["Ti","B","O"],"chemical_system":"B-O-Ti","density":3.7390397844059753,"density_atomic":0.10553911695726995,"volume":94.7515981590858,"volume_molar":5.706074613489715,"formula_full":"Ti2 B2 O6","formula_reduced":"TiBO3","formula_anonymous":"ABC3","energy_above_hull":2.749106283333333,"spacegroup":167},{"id":"jvasp-114514","created_at":"2022-09-04T14:38:40.985569Z","updated_at":"2022-09-04T14:38:40.985597Z","structure_string":"Ti1 B1 O1\n1.0\n5.291772 0.000000 0.000000\n0.000000 5.291772 0.000000\n0.000000 0.000000 9.313520\nTi B O\n1 1 1\ndirect\n0.000000 0.000000 0.015246 Ti\n0.000000 0.000000 0.196545 B\n0.000000 0.000000 0.823939 O\n","nsites":3,"nelements":3,"elements":["Ti","B","O"],"chemical_system":"B-O-Ti","density":0.47546897828059487,"density_atomic":0.011502842018637372,"volume":260.805111914019,"volume_molar":52.353503162459184,"formula_full":"Ti1 B1 O1","formula_reduced":"TiBO","formula_anonymous":"ABC","energy_above_hull":3.911781472222223,"spacegroup":99},{"id":"jvasp-40834","created_at":"2022-09-04T14:37:45.680827Z","updated_at":"2022-09-04T14:37:45.680847Z","structure_string":"Ti1 Bi1 Rh1\n1.0\n3.883804 -0.000000 2.242316\n1.294601 3.661686 2.242316\n-0.000000 -0.000000 4.484631\nTi Bi Rh\n1 1 1\ndirect\n0.250000 0.250000 0.250000 Ti\n0.000000 0.000000 0.000000 Bi\n0.499999 0.500001 0.500001 Rh\n","nsites":3,"nelements":3,"elements":["Ti","Bi","Rh"],"chemical_system":"Bi-Rh-Ti","density":9.36673604684048,"density_atomic":0.04703878936514423,"volume":63.777151591044166,"volume_molar":12.802499471770863,"formula_full":"Ti1 Bi1 Rh1","formula_reduced":"TiBiRh","formula_anonymous":"ABC","energy_above_hull":2.2410452111111114,"spacegroup":216}]}