{"count":55712,"next":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=chemical_system&page=4341","previous":"https://simmate.org/third-parties/JarvisStructure/?format=json&ordering=chemical_system&page=4339","results":[{"id":"jvasp-103412","created_at":"2022-09-04T14:36:39.107154Z","updated_at":"2022-09-04T14:36:39.107176Z","structure_string":"Ti4 O3\n1.0\n3.872825 -0.014825 -3.358291\n-0.816449 3.785816 -3.358291\n0.012016 0.014825 5.126086\nTi O\n4 3\ndirect\n0.000001 0.500001 0.500002 Ti\n0.266279 0.266278 0.000000 Ti\n0.500001 -0.000000 0.500001 Ti\n0.733722 0.733721 0.000001 Ti\n0.750001 0.250000 0.500002 O\n0.000000 0.000000 0.000000 O\n0.250001 0.750001 0.500002 O\n","nsites":7,"nelements":2,"elements":["Ti","O"],"chemical_system":"O-Ti","density":5.26801910835026,"density_atomic":0.09273679051771334,"volume":75.48244834570755,"volume_molar":6.493798983532572,"formula_full":"Ti4 O3","formula_reduced":"Ti4O3","formula_anonymous":"A3B4","energy_above_hull":3.3399362619047626,"spacegroup":139},{"id":"jvasp-10806","created_at":"2022-09-04T14:36:35.481434Z","updated_at":"2022-09-04T14:36:35.481453Z","structure_string":"Ti4 O8\n1.0\n5.832809 0.099703 0.070501\n3.002751 5.200917 -0.000000\n3.002751 1.733639 4.903471\nTi O\n4 8\ndirect\n0.273450 0.242184 0.242184 Ti\n0.638412 0.100105 0.630741 Ti\n0.638412 0.630742 0.100104 Ti\n0.638412 0.630742 0.630741 Ti\n0.396865 0.367433 0.367432 O\n0.396864 0.367433 0.868268 O\n0.396864 0.868269 0.367432 O\n0.853790 0.382070 0.382070 O\n0.401910 0.866030 0.866029 O\n0.832457 0.419833 0.873855 O\n0.832457 0.873855 0.419833 O\n0.832457 0.873855 0.873855 O\n","nsites":12,"nelements":2,"elements":["Ti","O"],"chemical_system":"O-Ti","density":3.6198097579726025,"density_atomic":0.08188362438415123,"volume":146.5494485649884,"volume_molar":7.354511729656169,"formula_full":"Ti4 O8","formula_reduced":"TiO2","formula_anonymous":"AB2","energy_above_hull":1.5411984444444449,"spacegroup":160},{"id":"jvasp-58384","created_at":"2022-09-04T14:37:30.198633Z","updated_at":"2022-09-04T14:37:30.198665Z","structure_string":"Ti6 O10\n1.0\n3.788459 -0.000000 -0.000000\n-1.894229 4.938359 0.000000\n-0.000000 0.000000 10.026984\nTi O\n6 10\ndirect\n0.301490 0.602980 0.250000 Ti\n0.698510 0.397021 0.750000 Ti\n0.630749 0.261498 0.057939 Ti\n0.369251 0.738502 0.942061 Ti\n0.369251 0.738502 0.557938 Ti\n0.630749 0.261498 0.442061 Ti\n0.266936 0.533870 0.750000 O\n0.733064 0.466130 0.250000 O\n0.551134 0.102267 0.876883 O\n0.448866 0.897734 0.123117 O\n0.448866 0.897734 0.376883 O\n0.551134 0.102267 0.623117 O\n0.182757 0.365515 0.432011 O\n0.817243 0.634485 0.567989 O\n0.817243 0.634485 0.932010 O\n0.182757 0.365515 0.067989 O\n","nsites":16,"nelements":2,"elements":["Ti","O"],"chemical_system":"O-Ti","density":3.9585071706794155,"density_atomic":0.08529123655681688,"volume":187.59254345364752,"volume_molar":7.060679388776762,"formula_full":"Ti6 O10","formula_reduced":"Ti3O5","formula_anonymous":"A3B5","energy_above_hull":3.0322328125,"spacegroup":63},{"id":"jvasp-20784","created_at":"2022-09-04T14:38:00.153565Z","updated_at":"2022-09-04T14:38:00.153589Z","structure_string":"Ti12 O4\n1.0\n2.570166 -4.451658 0.000000\n2.570166 4.451658 0.000000\n-0.000000 0.000000 9.493845\nTi O\n12 4\ndirect\n0.671379 0.666377 0.617024 Ti\n0.333624 0.005001 0.617024 Ti\n0.666377 0.671379 0.117024 Ti\n0.005001 0.333624 0.117024 Ti\n0.328623 0.995000 0.117024 Ti\n0.005002 0.671378 0.382976 Ti\n0.328623 0.333624 0.382976 Ti\n0.666378 0.995000 0.382976 Ti\n0.995000 0.328623 0.617024 Ti\n0.671378 0.005002 0.882977 Ti\n0.995000 0.666378 0.882977 Ti\n0.333624 0.328623 0.882977 Ti\n0.333334 0.666668 0.250000 O\n0.666668 0.333334 0.750000 O\n0.000000 0.000000 0.250000 O\n0.000000 0.000000 0.750000 O\n","nsites":16,"nelements":2,"elements":["Ti","O"],"chemical_system":"O-Ti","density":4.8796420520958455,"density_atomic":0.07364866580858587,"volume":217.24765580389834,"volume_molar":8.176849768944416,"formula_full":"Ti12 O4","formula_reduced":"Ti3O","formula_anonymous":"AB3","energy_above_hull":3.092232125,"spacegroup":163},{"id":"jvasp-37346","created_at":"2022-09-04T14:38:05.505813Z","updated_at":"2022-09-04T14:38:05.505829Z","structure_string":"Ti6 O4\n1.0\n5.174365 -0.041520 0.497284\n-2.562928 4.468456 0.281685\n0.481623 -2.204899 4.639924\nTi O\n6 4\ndirect\n0.312117 0.406085 0.250010 Ti\n0.000014 0.750001 0.249992 Ti\n0.687842 0.093924 0.250024 Ti\n0.312157 -0.093925 0.749974 Ti\n-0.000014 0.249999 0.750008 Ti\n0.687881 0.593915 0.749989 Ti\n0.337850 0.668913 -0.000024 O\n0.662190 0.831068 0.500003 O\n0.337809 0.168932 0.499996 O\n0.662149 0.331088 0.000024 O\n","nsites":10,"nelements":2,"elements":["Ti","O"],"chemical_system":"O-Ti","density":5.219275834517406,"density_atomic":0.08949672423201006,"volume":111.73593319545573,"volume_molar":6.72889517652991,"formula_full":"Ti6 O4","formula_reduced":"Ti3O2","formula_anonymous":"A2B3","energy_above_hull":3.0285603999999995,"spacegroup":71},{"id":"jvasp-9154","created_at":"2022-09-04T14:38:03.149166Z","updated_at":"2022-09-04T14:38:03.149199Z","structure_string":"Ti4 O8\n1.0\n0.000000 4.830002 -0.014882\n4.902779 0.000000 0.000000\n0.000000 -0.874713 -4.985349\nTi O\n4 8\ndirect\n0.721794 0.553392 0.286272 Ti\n0.278206 0.053392 0.213728 Ti\n0.278206 0.446608 0.713728 Ti\n0.721794 0.946608 0.786272 Ti\n0.556043 0.258300 0.031485 O\n0.443957 0.758300 0.468514 O\n0.443957 0.741700 0.968514 O\n0.556043 0.241700 0.531485 O\n0.934597 0.673713 0.652128 O\n0.065403 0.173713 0.847872 O\n0.065403 0.326287 0.347872 O\n0.934597 0.826287 0.152128 O\n","nsites":12,"nelements":2,"elements":["Ti","O"],"chemical_system":"O-Ti","density":4.491072026772867,"density_atomic":0.10159242598660942,"volume":118.11904168507289,"volume_molar":5.927745795531804,"formula_full":"Ti4 O8","formula_reduced":"TiO2","formula_anonymous":"AB2","energy_above_hull":1.4849317777777782,"spacegroup":14},{"id":"jvasp-116636","created_at":"2022-09-04T14:38:44.415541Z","updated_at":"2022-09-04T14:38:44.415567Z","structure_string":"Ti9 O10\n1.0\n5.064735 0.023325 0.539945\n-2.674692 4.300942 0.539945\n0.037034 0.067006 10.006371\nTi O\n9 10\ndirect\n0.841469 0.158529 0.500000 Ti\n0.574852 0.895840 0.255301 Ti\n0.351964 0.648035 -0.000000 Ti\n0.104159 0.425147 0.744698 Ti\n0.425146 0.104159 0.744698 Ti\n0.158530 0.841470 0.500000 Ti\n0.895840 0.574852 0.255301 Ti\n0.648035 0.351963 -0.000000 Ti\n0.000000 0.000000 0.000000 Ti\n0.059201 0.712042 0.880688 O\n0.287958 0.940798 0.119311 O\n0.549641 0.191055 0.375568 O\n0.808943 0.450358 0.624431 O\n0.450358 0.808944 0.624431 O\n0.940797 0.287957 0.119311 O\n0.191055 0.549642 0.375568 O\n0.397371 0.397372 0.863865 O\n0.712041 0.059202 0.880688 O\n0.602628 0.602628 0.136134 O\n","nsites":19,"nelements":2,"elements":["Ti","O"],"chemical_system":"O-Ti","density":4.4954717895344505,"density_atomic":0.08706457789431606,"volume":218.22881887813529,"volume_molar":6.916866658803558,"formula_full":"Ti9 O10","formula_reduced":"Ti9O10","formula_anonymous":"A9B10","energy_above_hull":3.748148947368421,"spacegroup":12},{"id":"jvasp-9079","created_at":"2022-09-04T14:38:12.765302Z","updated_at":"2022-09-04T14:38:12.765328Z","structure_string":"Ti6 O10\n1.0\n3.861050 0.000000 0.000000\n-1.930525 4.891258 -0.113411\n0.000000 0.032681 9.333716\nTi O\n6 10\ndirect\n0.943485 0.886968 0.640003 Ti\n0.056517 0.113033 0.359997 Ti\n0.868554 0.737105 0.955241 Ti\n0.131448 0.262895 0.044759 Ti\n0.220782 0.441562 0.737056 Ti\n0.779219 0.558438 0.262945 Ti\n0.587478 0.174956 0.340543 O\n0.412523 0.825044 0.659458 O\n0.673385 0.346770 0.054660 O\n0.326616 0.653230 0.945340 O\n0.871344 0.742684 0.442586 O\n0.128658 0.257316 0.557415 O\n0.242476 0.484952 0.243561 O\n0.757526 0.515049 0.756439 O\n0.042575 0.085150 0.847086 O\n0.957427 0.914850 0.152915 O\n","nsites":16,"nelements":2,"elements":["Ti","O"],"chemical_system":"O-Ti","density":4.212415205460059,"density_atomic":0.09076201867856189,"volume":176.28519322234095,"volume_molar":6.635089046804595,"formula_full":"Ti6 O10","formula_reduced":"Ti3O5","formula_anonymous":"A3B5","energy_above_hull":3.0293428125,"spacegroup":12},{"id":"jvasp-15004","created_at":"2022-09-04T14:36:18.049169Z","updated_at":"2022-09-04T14:36:18.049191Z","structure_string":"Ti1 O1\n1.0\n2.621745 -0.000000 1.513665\n0.873915 2.471805 1.513665\n0.000000 0.000000 3.027329\nTi O\n1 1\ndirect\n0.000000 0.000000 0.000000 Ti\n0.499998 0.499999 0.500000 O\n","nsites":2,"nelements":2,"elements":["Ti","O"],"chemical_system":"O-Ti","density":5.4057661955995275,"density_atomic":0.10194495057432428,"volume":19.618431209517084,"volume_molar":5.907247711704446,"formula_full":"Ti1 O1","formula_reduced":"TiO","formula_anonymous":"AB","energy_above_hull":0.8109859166666666,"spacegroup":225},{"id":"jvasp-42549","created_at":"2022-09-04T14:36:18.152376Z","updated_at":"2022-09-04T14:36:18.152406Z","structure_string":"Ti8 O16\n1.0\n3.023061 -0.000962 -0.004386\n0.003765 9.744306 0.000079\n0.013361 0.000224 9.373368\nTi O\n8 16\ndirect\n0.250133 -0.025219 0.152136 Ti\n0.750101 0.201217 0.401296 Ti\n0.250131 0.298111 0.901292 Ti\n0.750122 0.524548 0.652136 Ti\n0.250137 0.474782 0.345488 Ti\n0.750109 0.701220 0.096325 Ti\n0.250145 0.798112 0.596326 Ti\n0.750126 0.024551 0.845481 Ti\n0.250150 0.801381 0.220932 O\n0.750116 0.859648 0.503906 O\n0.250136 0.639693 0.003900 O\n0.750113 0.697947 0.720929 O\n0.750120 0.559425 0.251721 O\n0.250122 0.603953 0.521605 O\n0.750135 0.395378 0.476018 O\n0.250134 0.139679 0.493715 O\n0.250150 0.301385 0.276695 O\n0.750111 0.359637 -0.006279 O\n0.250137 0.939908 0.751720 O\n0.750115 0.197953 0.776685 O\n0.750120 0.059425 0.245898 O\n0.250119 0.103949 0.976007 O\n0.250136 0.439908 0.745901 O\n0.750137 0.895383 0.021612 O\n","nsites":24,"nelements":2,"elements":["Ti","O"],"chemical_system":"O-Ti","density":3.842425778066097,"density_atomic":0.08691941570746096,"volume":276.1178248226523,"volume_molar":6.9284183642793105,"formula_full":"Ti8 O16","formula_reduced":"TiO2","formula_anonymous":"AB2","energy_above_hull":1.5039217777777778,"spacegroup":62},{"id":"jvasp-11017","created_at":"2022-09-04T14:37:12.708852Z","updated_at":"2022-09-04T14:37:12.708879Z","structure_string":"Ti4 O8\n1.0\n2.918529 0.000054 0.598658\n1.459380 7.243555 0.299428\n0.003913 0.000100 7.395402\nTi O\n4 8\ndirect\n0.639238 0.183600 0.537959 Ti\n0.177187 0.462041 0.183599 Ti\n0.822814 0.537955 0.816401 Ti\n0.360762 0.816400 0.462041 Ti\n0.837511 0.705805 0.619164 O\n0.456686 0.380841 0.705800 O\n0.543315 0.619157 0.294201 O\n0.162488 0.294194 0.380837 O\n0.155699 0.050973 0.637639 O\n0.793350 0.362359 0.050980 O\n0.844301 0.949026 0.362362 O\n0.206651 0.637640 0.949020 O\n","nsites":12,"nelements":2,"elements":["Ti","O"],"chemical_system":"O-Ti","density":3.393447468057368,"density_atomic":0.0767630887865742,"volume":156.3251321655883,"volume_molar":7.845099585223135,"formula_full":"Ti4 O8","formula_reduced":"TiO2","formula_anonymous":"AB2","energy_above_hull":1.5015884444444447,"spacegroup":87},{"id":"jvasp-30586","created_at":"2022-09-04T14:37:19.580320Z","updated_at":"2022-09-04T14:37:19.580346Z","structure_string":"Ti1 O2\n1.0\n2.750907 -0.074492 3.937442\n1.184609 2.483895 3.937442\n-0.121676 -0.074492 4.801681\nTi O\n1 2\ndirect\n0.000000 0.000000 0.000000 Ti\n0.261811 0.261810 0.261810 O\n0.738190 0.738191 0.738188 O\n","nsites":3,"nelements":2,"elements":["Ti","O"],"chemical_system":"O-Ti","density":3.797990003145154,"density_atomic":0.08591423517419364,"volume":34.91854398653974,"volume_molar":7.009479567373129,"formula_full":"Ti1 O2","formula_reduced":"TiO2","formula_anonymous":"AB2","energy_above_hull":1.5313017777777782,"spacegroup":166}]}