HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept
{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-chemical_system&page=304",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-chemical_system&page=302",
"results": [
{
"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-109828",
"created_at": "2022-09-04T14:38:27.084260Z",
"updated_at": "2022-09-04T14:38:27.084272Z",
"structure_string": "Ti4 O6\n1.0\n2.996645 -0.000000 0.000000\n0.000000 4.997986 1.005764\n-0.000000 -0.041493 7.319593\nTi O\n4 6\ndirect\n0.750001 0.837404 0.655208 Ti\n0.750001 0.735348 0.024406 Ti\n0.250000 0.264653 0.975593 Ti\n0.250000 0.162598 0.344791 Ti\n0.250000 0.937614 0.844279 O\n0.250000 0.785195 0.498343 O\n0.750001 0.482674 0.831269 O\n0.250000 0.517327 0.168729 O\n0.750001 0.214806 0.501656 O\n0.750001 0.062387 0.155720 O\n",
"nsites": 10,
"nelements": 2,
"elements": [
"Ti",
"O"
],
"chemical_system": "O-Ti",
"density": 4.349314006685907,
"density_atomic": 0.09111452119550655,
"volume": 109.75198979032956,
"volume_molar": 6.6094193120744755,
"formula_full": "Ti4 O6",
"formula_reduced": "Ti2O3",
"formula_anonymous": "A2B3",
"energy_above_hull": 2.566639433333333,
"spacegroup": 11
},
{
"id": "jvasp-17258",
"created_at": "2022-09-04T14:36:08.117516Z",
"updated_at": "2022-09-04T14:36:08.117552Z",
"structure_string": "Ti2 O4\n1.0\n1.695303 -2.936352 -0.000000\n1.695303 2.936352 0.000000\n0.000000 0.000000 10.688586\nTi O\n2 4\ndirect\n0.666666 0.333332 0.250000 Ti\n0.333332 0.666666 0.750000 Ti\n0.333332 0.666666 0.588472 O\n0.666666 0.333332 0.088471 O\n0.333332 0.666666 0.911529 O\n0.666666 0.333332 0.411529 O\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Ti",
"O"
],
"chemical_system": "O-Ti",
"density": 2.4924946864469506,
"density_atomic": 0.0563826588496808,
"volume": 106.41569806057431,
"volume_molar": 10.680838546573957,
"formula_full": "Ti2 O4",
"formula_reduced": "TiO2",
"formula_anonymous": "AB2",
"energy_above_hull": 2.4189884444444445,
"spacegroup": 194
},
{
"id": "jvasp-50518",
"created_at": "2022-09-04T14:37:05.311301Z",
"updated_at": "2022-09-04T14:37:05.311329Z",
"structure_string": "Ti8 O16\n1.0\n2.968152 -5.140989 0.000000\n2.968152 5.140989 -0.000000\n0.000000 -0.000000 8.993922\nTi O\n8 16\ndirect\n0.335832 0.167916 0.210981 Ti\n0.832083 0.664167 0.210981 Ti\n0.167916 0.335832 0.710981 Ti\n0.664167 0.832083 0.710981 Ti\n0.666667 0.333333 0.490627 Ti\n0.832084 0.167916 0.210981 Ti\n0.333333 0.666667 0.990627 Ti\n0.167916 0.832084 0.710981 Ti\n0.170869 0.829130 0.102466 O\n0.333333 0.666667 0.597741 O\n0.476337 0.523663 0.838401 O\n0.047325 0.523663 0.838401 O\n0.829130 0.658260 0.602466 O\n0.170870 0.341739 0.102466 O\n0.952674 0.476337 0.338402 O\n0.000000 0.000000 0.313936 O\n0.829130 0.170869 0.602466 O\n0.000000 0.000000 0.813936 O\n0.476337 0.952674 0.838401 O\n0.666667 0.333333 0.097741 O\n0.523663 0.047325 0.338402 O\n0.341739 0.170870 0.602466 O\n0.523663 0.476337 0.338402 O\n0.658260 0.829130 0.102466 O\n",
"nsites": 24,
"nelements": 2,
"elements": [
"Ti",
"O"
],
"chemical_system": "O-Ti",
"density": 3.8653427152344952,
"density_atomic": 0.08743781915974165,
"volume": 274.480770799578,
"volume_molar": 6.887340990284818,
"formula_full": "Ti8 O16",
"formula_reduced": "TiO2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.511578444444445,
"spacegroup": 186
},
{
"id": "jvasp-22573",
"created_at": "2022-09-04T14:37:02.318208Z",
"updated_at": "2022-09-04T14:37:02.318235Z",
"structure_string": "Ti4 O8\n1.0\n3.756103 -0.000000 -0.000000\n-1.878051 5.870074 -1.803449\n-0.000000 0.007810 6.614866\nTi O\n4 8\ndirect\n0.194304 0.388608 0.283461 Ti\n0.899386 0.798774 0.290285 Ti\n0.805695 0.611392 0.716539 Ti\n0.100613 0.201225 0.709716 Ti\n0.941608 0.883218 0.629421 O\n0.361615 0.723230 0.294387 O\n0.867225 0.734451 0.996382 O\n0.058391 0.116781 0.370579 O\n0.263969 0.527937 0.652382 O\n0.132774 0.265548 0.003618 O\n0.736030 0.472062 0.347618 O\n0.638384 0.276769 0.705613 O\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Ti",
"O"
],
"chemical_system": "O-Ti",
"density": 3.6358864320395354,
"density_atomic": 0.08224729441894899,
"volume": 145.9014559053424,
"volume_molar": 7.321992537924209,
"formula_full": "Ti4 O8",
"formula_reduced": "TiO2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.477311777777778,
"spacegroup": 12
},
{
"id": "jvasp-18983",
"created_at": "2022-09-04T14:36:59.733803Z",
"updated_at": "2022-09-04T14:36:59.733828Z",
"structure_string": "Ti8 O16\n1.0\n5.171752 -0.000000 0.000000\n0.000000 5.495267 0.000000\n0.000000 0.000000 9.249601\nTi O\n8 16\ndirect\n0.139135 0.405012 0.371043 Ti\n0.639134 0.594988 0.128956 Ti\n0.360865 0.905012 0.628956 Ti\n0.860865 0.094988 0.871043 Ti\n0.860865 0.594988 0.628956 Ti\n0.360865 0.405012 0.871043 Ti\n0.639134 0.094988 0.371043 Ti\n0.139135 0.905012 0.128956 Ti\n0.684447 0.851093 0.510008 O\n0.184447 0.148907 0.989991 O\n0.184447 0.648908 0.510008 O\n0.684447 0.351093 0.989991 O\n0.315552 0.148907 0.489991 O\n0.815552 0.851093 0.010008 O\n0.464648 0.890851 0.230217 O\n0.535351 0.109150 0.769783 O\n0.035352 0.390850 0.769783 O\n0.535351 0.609150 0.730217 O\n0.315552 0.648908 0.010008 O\n0.035352 0.890851 0.730217 O\n0.964648 0.609150 0.230217 O\n0.464648 0.390850 0.269783 O\n0.964648 0.109150 0.269783 O\n0.815552 0.351093 0.489991 O\n",
"nsites": 24,
"nelements": 2,
"elements": [
"Ti",
"O"
],
"chemical_system": "O-Ti",
"density": 4.035993352041157,
"density_atomic": 0.09129810287062352,
"volume": 262.875122761421,
"volume_molar": 6.596129131548155,
"formula_full": "Ti8 O16",
"formula_reduced": "TiO2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.475761777777778,
"spacegroup": 61
},
{
"id": "jvasp-49767",
"created_at": "2022-09-04T14:36:59.954901Z",
"updated_at": "2022-09-04T14:36:59.954922Z",
"structure_string": "Ti2 O2\n1.0\n-2.846616 -0.000627 0.000695\n1.422756 2.465578 -0.001796\n-0.001351 -0.003252 -5.550879\nTi O\n2 2\ndirect\n0.666630 0.333230 0.002773 Ti\n0.333295 0.666562 0.502776 Ti\n0.999965 0.999902 0.752781 O\n-0.000038 -0.000105 0.252776 O\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ti",
"O"
],
"chemical_system": "O-Ti",
"density": 5.444990979411712,
"density_atomic": 0.10268467340034601,
"volume": 38.95420677246388,
"volume_molar": 5.8646929094480695,
"formula_full": "Ti2 O2",
"formula_reduced": "TiO",
"formula_anonymous": "AB",
"energy_above_hull": 0.7370659166666669,
"spacegroup": 194
},
{
"id": "jvasp-50537",
"created_at": "2022-09-04T14:37:01.383785Z",
"updated_at": "2022-09-04T14:37:01.383809Z",
"structure_string": "Ti8 O16\n1.0\n2.979340 0.000000 0.000000\n0.000000 8.926892 0.000000\n0.000000 0.000000 10.733583\nTi O\n8 16\ndirect\n0.750000 0.044876 0.879145 Ti\n0.750000 0.094807 0.401927 Ti\n0.250000 0.405193 0.901927 Ti\n0.250000 0.455123 0.379145 Ti\n0.750000 0.544876 0.620855 Ti\n0.750000 0.594807 0.098073 Ti\n0.250000 0.905193 0.598073 Ti\n0.250000 0.955123 0.120855 Ti\n0.750000 0.885719 0.485331 O\n0.750000 0.802130 0.141477 O\n0.250000 0.697870 0.641477 O\n0.250000 0.614280 0.985331 O\n0.750000 0.577587 0.428387 O\n0.250000 0.531037 0.213931 O\n0.750000 0.468963 0.786069 O\n0.250000 0.197870 0.858523 O\n0.750000 0.385719 0.014669 O\n0.750000 0.302130 0.358523 O\n0.250000 0.922413 0.928387 O\n0.250000 0.114280 0.514669 O\n0.750000 0.077587 0.071613 O\n0.250000 0.031038 0.286069 O\n0.250000 0.422413 0.571612 O\n0.750000 0.968962 0.713931 O\n",
"nsites": 24,
"nelements": 2,
"elements": [
"Ti",
"O"
],
"chemical_system": "O-Ti",
"density": 3.716506218475243,
"density_atomic": 0.08407099255554092,
"volume": 285.473018343926,
"volume_molar": 7.16316124853827,
"formula_full": "Ti8 O16",
"formula_reduced": "TiO2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.5015051111111113,
"spacegroup": 62
},
{
"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-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-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-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
}
]
}