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=elements&page=950",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=elements&page=948",
"results": [
{
"id": "jvasp-54300",
"created_at": "2022-09-04T14:36:44.955839Z",
"updated_at": "2022-09-04T14:36:44.955854Z",
"structure_string": "Ti8 As16\n1.0\n3.515652 0.000000 0.000000\n0.000000 8.985462 -0.000000\n0.000000 -0.000000 13.335951\nTi As\n8 16\ndirect\n0.000000 0.671927 0.993044 Ti\n0.000000 0.518400 0.247873 Ti\n0.000000 0.481600 0.752127 Ti\n0.500000 0.828073 0.493044 Ti\n0.500000 0.981600 0.747872 Ti\n0.500000 0.171927 0.506956 Ti\n0.500000 0.018400 0.252127 Ti\n0.000000 0.328073 0.006956 Ti\n0.500000 0.511568 0.100604 As\n0.500000 0.274325 0.698290 As\n0.000000 0.988431 0.600604 As\n0.000000 0.225675 0.198290 As\n0.000000 0.384778 0.557452 As\n0.000000 0.615222 0.442548 As\n0.000000 0.164691 0.838989 As\n0.000000 0.774325 0.801710 As\n0.500000 0.335309 0.338989 As\n0.500000 0.115222 0.057452 As\n0.000000 0.835309 0.161011 As\n0.000000 0.011569 0.399396 As\n0.500000 0.725675 0.301710 As\n0.500000 0.488431 0.899396 As\n0.500000 0.664691 0.661011 As\n0.500000 0.884778 0.942548 As\n",
"nsites": 24,
"nelements": 2,
"elements": [
"Ti",
"As"
],
"chemical_system": "As-Ti",
"density": 6.234446140542346,
"density_atomic": 0.056969309977875804,
"volume": 421.2794574714082,
"volume_molar": 10.570850800788559,
"formula_full": "Ti8 As16",
"formula_reduced": "TiAs2",
"formula_anonymous": "AB2",
"energy_above_hull": 2.295490611111111,
"spacegroup": 58
},
{
"id": "jvasp-20203",
"created_at": "2022-09-04T14:38:34.662244Z",
"updated_at": "2022-09-04T14:38:34.662273Z",
"structure_string": "Ti4 As4\n1.0\n1.828213 -3.166556 -0.000000\n1.828213 3.166556 0.000000\n-0.000000 -0.000000 12.094315\nTi As\n4 4\ndirect\n0.666667 0.333332 0.882458 Ti\n0.333332 0.666667 0.382458 Ti\n0.333332 0.666667 0.117543 Ti\n0.666667 0.333332 0.617543 Ti\n0.000000 0.000000 0.000000 As\n0.000000 0.000000 0.500000 As\n0.666667 0.333332 0.250000 As\n0.333332 0.666667 0.750000 As\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Ti",
"As"
],
"chemical_system": "As-Ti",
"density": 5.824275361064521,
"density_atomic": 0.057130069178167035,
"volume": 140.03133752649646,
"volume_molar": 10.5411053174454,
"formula_full": "Ti4 As4",
"formula_reduced": "TiAs",
"formula_anonymous": "AB",
"energy_above_hull": 1.5768450416666662,
"spacegroup": 194
},
{
"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-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-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-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-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-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-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-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
}
]
}