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=666",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=chemical_system&page=664",
"results": [
{
"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-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-19976",
"created_at": "2022-09-04T14:37:43.756081Z",
"updated_at": "2022-09-04T14:37:43.756098Z",
"structure_string": "Ti6 Au2\n1.0\n5.088256 0.000000 -0.000000\n-0.000000 5.088256 0.000000\n0.000000 0.000000 5.088256\nTi Au\n6 2\ndirect\n0.500000 0.250000 0.000000 Ti\n0.500000 0.750001 0.000000 Ti\n0.250000 0.000000 0.500000 Ti\n0.750001 0.000000 0.500000 Ti\n0.000000 0.500000 0.250000 Ti\n0.000000 0.500000 0.750001 Ti\n0.500000 0.500000 0.500000 Au\n0.000000 0.000000 0.000000 Au\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Ti",
"Au"
],
"chemical_system": "Au-Ti",
"density": 8.585696301760507,
"density_atomic": 0.06072718177071183,
"volume": 131.7367242597503,
"volume_molar": 9.91671370941904,
"formula_full": "Ti6 Au2",
"formula_reduced": "Ti3Au",
"formula_anonymous": "AB3",
"energy_above_hull": 2.8790181425000005,
"spacegroup": 223
},
{
"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
},
{
"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-37033",
"created_at": "2022-09-04T14:38:12.488328Z",
"updated_at": "2022-09-04T14:38:12.488347Z",
"structure_string": "Ti2 Au2\n1.0\n3.350382 0.000000 0.000000\n0.000000 3.350382 -0.000000\n0.000000 -0.000000 6.072822\nTi Au\n2 2\ndirect\n0.500000 0.000000 0.865137 Ti\n0.000000 0.500000 0.134863 Ti\n0.500000 0.000000 0.357809 Au\n0.000000 0.500000 0.642191 Au\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ti",
"Au"
],
"chemical_system": "Au-Ti",
"density": 11.928088462809523,
"density_atomic": 0.05867874085975097,
"volume": 68.1677885617973,
"volume_molar": 10.262900450426534,
"formula_full": "Ti2 Au2",
"formula_reduced": "TiAu",
"formula_anonymous": "AB",
"energy_above_hull": 1.1902129516666669,
"spacegroup": 129
},
{
"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-37040",
"created_at": "2022-09-04T14:38:10.629094Z",
"updated_at": "2022-09-04T14:38:10.629120Z",
"structure_string": "Ti2 Au2\n1.0\n2.996381 0.000000 0.000000\n0.000000 4.613892 -0.000000\n0.000000 -0.000000 4.913190\nTi Au\n2 2\ndirect\n0.000000 0.750000 0.313059 Ti\n0.000000 0.250000 0.686941 Ti\n0.500000 0.750000 0.817672 Au\n0.500000 0.250000 0.182328 Au\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ti",
"Au"
],
"chemical_system": "Au-Ti",
"density": 11.970768667826984,
"density_atomic": 0.05888870079573479,
"volume": 67.9247452558796,
"volume_molar": 10.226309425451229,
"formula_full": "Ti2 Au2",
"formula_reduced": "TiAu",
"formula_anonymous": "AB",
"energy_above_hull": 1.213232951666667,
"spacegroup": 51
},
{
"id": "jvasp-16451",
"created_at": "2022-09-04T14:37:52.669458Z",
"updated_at": "2022-09-04T14:37:52.669468Z",
"structure_string": "Ti3 Au1\n1.0\n4.056550 0.000000 -0.000000\n0.000000 4.056550 0.000000\n-0.000000 -0.000000 4.056550\nTi Au\n3 1\ndirect\n0.500000 0.000000 0.500000 Ti\n0.000000 0.500000 0.500000 Ti\n0.500000 0.500000 0.000000 Ti\n0.000000 0.000000 0.000000 Au\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ti",
"Au"
],
"chemical_system": "Au-Ti",
"density": 8.471920792923084,
"density_atomic": 0.05992244028401277,
"volume": 66.75295567138635,
"volume_molar": 10.049892379978221,
"formula_full": "Ti3 Au1",
"formula_reduced": "Ti3Au",
"formula_anonymous": "AB3",
"energy_above_hull": 2.9105206425000003,
"spacegroup": 221
},
{
"id": "jvasp-79999",
"created_at": "2022-09-04T14:37:14.212208Z",
"updated_at": "2022-09-04T14:37:14.212241Z",
"structure_string": "Ti1 Zn1 Au2\n1.0\n-0.000000 3.213187 3.213187\n3.213187 -0.000000 3.213187\n3.213187 3.213187 0.000000\nTi Zn Au\n1 1 2\ndirect\n0.250000 0.250000 0.250000 Ti\n0.750000 0.750000 0.750000 Zn\n0.000000 0.000000 0.000000 Au\n0.500001 0.500001 0.500001 Au\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ti",
"Zn",
"Au"
],
"chemical_system": "Au-Ti-Zn",
"density": 12.693990456031566,
"density_atomic": 0.06028676664633471,
"volume": 66.34955268816346,
"volume_molar": 9.989158641278916,
"formula_full": "Ti1 Zn1 Au2",
"formula_reduced": "TiZnAu2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.6830559683333334,
"spacegroup": 225
},
{
"id": "jvasp-80252",
"created_at": "2022-09-04T14:37:15.538938Z",
"updated_at": "2022-09-04T14:37:15.538966Z",
"structure_string": "Zr1 Ti1 Au2\n1.0\n-10.173369 0.000001 -5.873596\n-6.362784 -1.122507 -0.726527\n-4.982896 2.780407 -3.116565\nZr Ti Au\n1 1 2\ndirect\n0.500001 -0.000001 -0.000000 Zr\n0.000000 0.000000 0.000000 Ti\n0.781283 -0.000001 -0.000001 Au\n0.218718 -0.000000 -0.000000 Au\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Zr",
"Ti",
"Au"
],
"chemical_system": "Au-Ti-Zr",
"density": 10.978384797668975,
"density_atomic": 0.04961379710864355,
"volume": 80.62273466473167,
"volume_molar": 12.138036415178638,
"formula_full": "Zr1 Ti1 Au2",
"formula_reduced": "ZrTiAu2",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.3159069933333334,
"spacegroup": 71
},
{
"id": "jvasp-100245",
"created_at": "2022-09-04T14:36:49.430290Z",
"updated_at": "2022-09-04T14:36:49.430303Z",
"structure_string": "Tl1 Au3\n1.0\n4.305519 0.000000 0.000000\n0.000000 4.305519 0.000000\n-0.000000 0.000000 4.305519\nTl Au\n1 3\ndirect\n0.000000 0.000000 0.000000 Tl\n0.000000 0.500000 0.500000 Au\n0.500000 0.000000 0.500000 Au\n0.500000 0.500000 0.000000 Au\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Tl",
"Au"
],
"chemical_system": "Au-Tl",
"density": 16.54604762675829,
"density_atomic": 0.05011681476274105,
"volume": 79.81353202386214,
"volume_molar": 12.016208110011636,
"formula_full": "Tl1 Au3",
"formula_reduced": "TlAu3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.3084192133333333,
"spacegroup": 221
}
]
}