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=-formula_full&page=653",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_full&page=651",
"results": [
{
"id": "jvasp-20096",
"created_at": "2022-09-04T14:35:42.163913Z",
"updated_at": "2022-09-04T14:35:42.163932Z",
"structure_string": "Ti1 B2\n1.0\n1.515693 -2.625257 -0.000000\n1.515693 2.625257 0.000000\n0.000000 0.000000 3.243004\nTi B\n1 2\ndirect\n0.000000 0.000000 0.000000 Ti\n0.333332 0.666666 0.499999 B\n0.666666 0.333332 0.499999 B\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Ti",
"B"
],
"chemical_system": "B-Ti",
"density": 4.470999376469537,
"density_atomic": 0.11624136593824842,
"volume": 25.80836843911235,
"volume_molar": 5.180720917542535,
"formula_full": "Ti1 B2",
"formula_reduced": "TiB2",
"formula_anonymous": "AB2",
"energy_above_hull": 3.431641166666667,
"spacegroup": 191
},
{
"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-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-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-116736",
"created_at": "2022-09-04T14:38:44.508870Z",
"updated_at": "2022-09-04T14:38:44.508902Z",
"structure_string": "Ti1 B12\n1.0\n4.503351 -0.000000 2.600010\n1.501117 4.245800 2.600010\n-0.000000 -0.000000 5.200021\nTi B\n1 12\ndirect\n0.000000 0.000000 0.000000 Ti\n0.840004 0.500000 0.500000 B\n0.500000 0.500000 0.840004 B\n0.840004 0.159996 0.500000 B\n0.500000 0.840004 0.159995 B\n0.500000 0.159996 0.840004 B\n0.500000 0.840004 0.500000 B\n0.840004 0.500000 0.159996 B\n0.159996 0.840004 0.500000 B\n0.500000 0.159996 0.500000 B\n0.159996 0.500000 0.840004 B\n0.500000 0.500000 0.159996 B\n0.159996 0.500000 0.500000 B\n",
"nsites": 13,
"nelements": 2,
"elements": [
"Ti",
"B"
],
"chemical_system": "B-Ti",
"density": 2.9661231965278216,
"density_atomic": 0.13075036925497283,
"volume": 99.4261054410412,
"volume_molar": 4.605830786035016,
"formula_full": "Ti1 B12",
"formula_reduced": "TiB12",
"formula_anonymous": "AB12",
"energy_above_hull": 5.430827641025641,
"spacegroup": 225
},
{
"id": "jvasp-15899",
"created_at": "2022-09-04T14:38:31.921508Z",
"updated_at": "2022-09-04T14:38:31.921530Z",
"structure_string": "Ti1 B1\n1.0\n3.039626 -0.000000 1.754929\n1.013209 2.865788 1.754929\n-0.000000 -0.000000 3.509859\nTi B\n1 1\ndirect\n0.250000 0.250000 0.250000 Ti\n0.000000 0.000000 0.000000 B\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ti",
"B"
],
"chemical_system": "B-Ti",
"density": 3.186915288816734,
"density_atomic": 0.06541481463609118,
"volume": 30.574114000417026,
"volume_molar": 9.206080906139901,
"formula_full": "Ti1 B1",
"formula_reduced": "TiB",
"formula_anonymous": "AB",
"energy_above_hull": 3.077340458333333,
"spacegroup": 216
},
{
"id": "jvasp-16797",
"created_at": "2022-09-04T14:38:06.106951Z",
"updated_at": "2022-09-04T14:38:06.106974Z",
"structure_string": "Ti1 Au4\n1.0\n3.675877 0.000000 1.599779\n1.837939 4.645299 0.799889\n-0.015794 0.000000 5.059287\nTi Au\n1 4\ndirect\n0.000000 0.000000 0.000000 Ti\n0.605098 0.601660 0.188147 Au\n0.394904 0.398341 0.811854 Au\n0.793245 0.811853 0.601660 Au\n0.206758 0.188147 0.398341 Au\n",
"nsites": 5,
"nelements": 2,
"elements": [
"Ti",
"Au"
],
"chemical_system": "Au-Ti",
"density": 16.04217263929969,
"density_atomic": 0.05779847741964817,
"volume": 86.50746911025526,
"volume_molar": 10.41920311546618,
"formula_full": "Ti1 Au4",
"formula_reduced": "TiAu4",
"formula_anonymous": "AB4",
"energy_above_hull": 1.1204657226666668,
"spacegroup": 87
},
{
"id": "jvasp-102990",
"created_at": "2022-09-04T14:36:41.535512Z",
"updated_at": "2022-09-04T14:36:41.535521Z",
"structure_string": "Ti1 Au3\n1.0\n3.803685 -0.065607 -3.004859\n-0.932233 3.688260 -3.004859\n0.052002 0.065606 4.847112\nTi Au\n1 3\ndirect\n0.000000 0.000000 0.000000 Ti\n0.750001 0.250000 0.500000 Au\n0.250001 0.750000 0.500000 Au\n0.500001 0.500000 0.000000 Au\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ti",
"Au"
],
"chemical_system": "Au-Ti",
"density": 15.322727441001659,
"density_atomic": 0.05778361364016116,
"volume": 69.2237772616542,
"volume_molar": 10.421883265214225,
"formula_full": "Ti1 Au3",
"formula_reduced": "TiAu3",
"formula_anonymous": "AB3",
"energy_above_hull": 1.201075260833333,
"spacegroup": 139
},
{
"id": "jvasp-78509",
"created_at": "2022-09-04T14:36:37.990839Z",
"updated_at": "2022-09-04T14:36:37.990870Z",
"structure_string": "Ti1 Au2\n1.0\n3.460611 -0.000000 0.000000\n-0.000000 3.460611 0.000000\n-1.730306 -1.730306 4.289750\nTi Au\n1 2\ndirect\n0.500000 0.500000 -0.000000 Ti\n0.835969 0.835969 0.671941 Au\n0.164029 0.164029 0.328059 Au\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Ti",
"Au"
],
"chemical_system": "Au-Ti",
"density": 14.280302063286783,
"density_atomic": 0.05839608122767302,
"volume": 51.37331027922376,
"volume_molar": 10.312576860288013,
"formula_full": "Ti1 Au2",
"formula_reduced": "TiAu2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.233931157777778,
"spacegroup": 139
},
{
"id": "jvasp-35760",
"created_at": "2022-09-04T14:37:32.184256Z",
"updated_at": "2022-09-04T14:37:32.184291Z",
"structure_string": "Ti1 Au2\n1.0\n3.460545 0.000000 0.000000\n0.000000 3.460545 -0.000000\n-1.730273 -1.730273 4.289883\nTi Au\n1 2\ndirect\n0.000000 0.000000 0.000000 Ti\n0.664029 0.664029 0.328056 Au\n0.335973 0.335973 0.671943 Au\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Ti",
"Au"
],
"chemical_system": "Au-Ti",
"density": 14.28040402871825,
"density_atomic": 0.058396498192355706,
"volume": 51.372943461748704,
"volume_molar": 10.312503226072412,
"formula_full": "Ti1 Au2",
"formula_reduced": "TiAu2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.2339378244444443,
"spacegroup": 139
},
{
"id": "jvasp-78754",
"created_at": "2022-09-04T14:37:01.720203Z",
"updated_at": "2022-09-04T14:37:01.720221Z",
"structure_string": "Ti1 Au1 Cl1\n1.0\n3.780736 0.000000 2.182810\n1.260245 3.564513 2.182810\n-0.000000 -0.000000 4.365619\nTi Au Cl\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Ti\n0.500000 0.500000 0.500000 Au\n0.250000 0.250000 0.250000 Cl\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ti",
"Au",
"Cl"
],
"chemical_system": "Au-Cl-Ti",
"density": 7.91095653413936,
"density_atomic": 0.050991626870953606,
"volume": 58.833188585887065,
"volume_molar": 11.810058100794576,
"formula_full": "Ti1 Au1 Cl1",
"formula_reduced": "TiAuCl",
"formula_anonymous": "ABC",
"energy_above_hull": 1.358663323611111,
"spacegroup": 216
},
{
"id": "jvasp-7702",
"created_at": "2022-09-04T14:37:06.857569Z",
"updated_at": "2022-09-04T14:37:06.857599Z",
"structure_string": "Ti1 Au1\n1.0\n3.263150 0.000000 -0.000000\n0.000000 3.263150 0.000000\n0.000000 -0.000000 3.263150\nTi Au\n1 1\ndirect\n0.500000 0.500000 0.500000 Ti\n0.000000 0.000000 0.000000 Au\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ti",
"Au"
],
"chemical_system": "Au-Ti",
"density": 11.700621949995151,
"density_atomic": 0.0575597477703451,
"volume": 34.74650389330587,
"volume_molar": 10.462416868168798,
"formula_full": "Ti1 Au1",
"formula_reduced": "TiAu",
"formula_anonymous": "AB",
"energy_above_hull": 1.2471979516666667,
"spacegroup": 221
}
]
}