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=3991",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_full&page=3989",
"results": [
{
"id": "jvasp-16933",
"created_at": "2022-09-04T14:35:54.407124Z",
"updated_at": "2022-09-04T14:35:54.407150Z",
"structure_string": "Ti1 Al1 O3\n1.0\n3.860321 0.000000 -0.000000\n0.000000 3.860321 0.000000\n0.000000 0.000000 3.860472\nTi Al O\n1 1 3\ndirect\n0.500000 0.500000 0.500000 Ti\n0.000000 0.000000 0.000000 Al\n0.000000 0.500000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.500000 0.500000 0.000000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ti",
"Al",
"O"
],
"chemical_system": "Al-O-Ti",
"density": 3.545891829616571,
"density_atomic": 0.08691260333167838,
"volume": 57.52905572185953,
"volume_molar": 6.92896142693843,
"formula_full": "Ti1 Al1 O3",
"formula_reduced": "TiAlO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.276760326666667,
"spacegroup": 221
},
{
"id": "jvasp-41563",
"created_at": "2022-09-04T14:37:52.386981Z",
"updated_at": "2022-09-04T14:37:52.387001Z",
"structure_string": "Ti1 Al1 Os2\n1.0\n-0.000030 3.065465 3.065465\n3.065465 -0.000030 3.065465\n3.065465 3.065465 -0.000030\nTi Al Os\n1 1 2\ndirect\n0.749999 0.749999 0.749999 Ti\n0.250001 0.250001 0.250001 Al\n0.000006 0.000006 0.000006 Os\n0.499997 0.499997 0.499997 Os\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ti",
"Al",
"Os"
],
"chemical_system": "Al-Os-Ti",
"density": 13.122888404906604,
"density_atomic": 0.06942798079072071,
"volume": 57.61365885113879,
"volume_molar": 8.673939082504441,
"formula_full": "Ti1 Al1 Os2",
"formula_reduced": "TiAlOs2",
"formula_anonymous": "ABC2",
"energy_above_hull": 4.2009252833333335,
"spacegroup": 225
},
{
"id": "jvasp-104676",
"created_at": "2022-09-04T14:36:47.661163Z",
"updated_at": "2022-09-04T14:36:47.661186Z",
"structure_string": "Ti1 Al1 Pd2\n1.0\n2.904489 0.000000 0.000000\n0.000000 2.904489 0.000000\n-0.000000 -0.000000 7.108660\nTi Al Pd\n1 1 2\ndirect\n0.000000 0.000000 0.500000 Ti\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.229081 Pd\n0.500000 0.500000 0.770919 Pd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ti",
"Al",
"Pd"
],
"chemical_system": "Al-Pd-Ti",
"density": 7.966075948273228,
"density_atomic": 0.06670106625086139,
"volume": 59.96905634095981,
"volume_molar": 9.028552463240764,
"formula_full": "Ti1 Al1 Pd2",
"formula_reduced": "TiAlPd2",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.026860633333333,
"spacegroup": 123
},
{
"id": "jvasp-41562",
"created_at": "2022-09-04T14:37:44.704879Z",
"updated_at": "2022-09-04T14:37:44.704904Z",
"structure_string": "Ti1 Al1 Pd2\n1.0\n-0.000000 3.125330 3.125330\n3.125330 0.000000 3.125330\n3.125330 3.125330 0.000000\nTi Al Pd\n1 1 2\ndirect\n0.750000 0.750000 0.750000 Ti\n0.249999 0.249999 0.249999 Al\n0.000000 0.000000 0.000000 Pd\n0.500000 0.500000 0.500000 Pd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ti",
"Al",
"Pd"
],
"chemical_system": "Al-Pd-Ti",
"density": 7.824453603088836,
"density_atomic": 0.06551524257932156,
"volume": 61.05449422944687,
"volume_molar": 9.19196895700842,
"formula_full": "Ti1 Al1 Pd2",
"formula_reduced": "TiAlPd2",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.0205881333333333,
"spacegroup": 225
},
{
"id": "jvasp-40031",
"created_at": "2022-09-04T14:37:46.469645Z",
"updated_at": "2022-09-04T14:37:46.469671Z",
"structure_string": "Ti1 Al1 Rh2\n1.0\n0.000000 3.058458 3.058458\n3.058458 0.000000 3.058458\n3.058458 3.058458 0.000000\nTi Al Rh\n1 1 2\ndirect\n0.750002 0.750002 0.750002 Ti\n0.250000 0.250000 0.250000 Al\n0.000000 0.000000 0.000000 Rh\n0.499999 0.499999 0.499999 Rh\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ti",
"Al",
"Rh"
],
"chemical_system": "Al-Rh-Ti",
"density": 8.145004822981202,
"density_atomic": 0.06990728452914577,
"volume": 57.218643621214014,
"volume_molar": 8.614468149580672,
"formula_full": "Ti1 Al1 Rh2",
"formula_reduced": "TiAlRh2",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.5767617833333336,
"spacegroup": 225
},
{
"id": "jvasp-40033",
"created_at": "2022-09-04T14:37:46.251654Z",
"updated_at": "2022-09-04T14:37:46.251675Z",
"structure_string": "Ti1 Al1 Ru2\n1.0\n-0.000000 3.045010 3.045010\n3.045010 -0.000000 3.045010\n3.045010 3.045010 0.000000\nTi Al Ru\n1 1 2\ndirect\n0.749999 0.749999 0.749999 Ti\n0.250000 0.250000 0.250000 Al\n0.000000 0.000000 0.000000 Ru\n0.500001 0.500001 0.500001 Ru\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ti",
"Al",
"Ru"
],
"chemical_system": "Al-Ru-Ti",
"density": 8.145443415311194,
"density_atomic": 0.07083759792300781,
"volume": 56.46718857332701,
"volume_molar": 8.501333947750972,
"formula_full": "Ti1 Al1 Ru2",
"formula_reduced": "TiAlRu2",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.434963033333334,
"spacegroup": 225
},
{
"id": "jvasp-104915",
"created_at": "2022-09-04T14:36:45.624252Z",
"updated_at": "2022-09-04T14:36:45.624273Z",
"structure_string": "Ti1 Al1 V2\n1.0\n2.692955 -0.006826 0.000000\n-0.801409 2.570953 0.000000\n-0.000000 -0.000000 8.517650\nTi Al V\n1 1 2\ndirect\n0.500000 0.499999 0.737622 Ti\n0.000000 0.000000 0.010649 Al\n0.000000 0.000000 0.489943 V\n0.500000 0.499999 0.261786 V\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ti",
"Al",
"V"
],
"chemical_system": "Al-Ti-V",
"density": 4.980390723290269,
"density_atomic": 0.06788287868347007,
"volume": 58.92502023450615,
"volume_molar": 8.871369153451106,
"formula_full": "Ti1 Al1 V2",
"formula_reduced": "TiAlV2",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.530389883333333,
"spacegroup": 35
},
{
"id": "jvasp-108063",
"created_at": "2022-09-04T14:35:51.429392Z",
"updated_at": "2022-09-04T14:35:51.429420Z",
"structure_string": "Ti1 Al2 Cr3 C2\n1.0\n2.898999 0.000000 0.000000\n-1.449499 2.510607 0.000000\n0.000000 0.000000 12.871456\nTi Al Cr C\n1 2 3 2\ndirect\n0.666667 0.333334 0.584230 Ti\n0.666667 0.333334 0.245744 Al\n0.333334 0.666667 0.763031 Al\n0.333334 0.666667 0.407979 Cr\n0.333334 0.666667 0.085281 Cr\n0.666667 0.333334 0.922118 Cr\n0.000000 0.000000 0.488045 C\n0.000000 0.000000 0.003574 C\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Ti",
"Al",
"Cr",
"C"
],
"chemical_system": "Al-C-Cr-Ti",
"density": 4.995706402331811,
"density_atomic": 0.0853956030188688,
"volume": 93.68163836529546,
"volume_molar": 7.052050160790319,
"formula_full": "Ti1 Al2 Cr3 C2",
"formula_reduced": "TiAl2Cr3C2",
"formula_anonymous": "AB2C2D3",
"energy_above_hull": 4.854659516666667,
"spacegroup": 156
},
{
"id": "jvasp-26272",
"created_at": "2022-09-04T14:38:35.442552Z",
"updated_at": "2022-09-04T14:38:35.442571Z",
"structure_string": "Ti1 Al3\n1.0\n3.569839 0.000000 -1.454408\n-0.592549 3.520317 -1.454408\n0.001309 0.001547 5.111492\nTi Al\n1 3\ndirect\n0.000000 0.000000 0.000000 Ti\n0.500000 0.500000 -0.000000 Al\n0.250000 0.750001 0.500000 Al\n0.750000 0.250001 0.500000 Al\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ti",
"Al"
],
"chemical_system": "Al-Ti",
"density": 3.3290277941110458,
"density_atomic": 0.06225486374814075,
"volume": 64.25200794242298,
"volume_molar": 9.673365898547729,
"formula_full": "Ti1 Al3",
"formula_reduced": "TiAl3",
"formula_anonymous": "AB3",
"energy_above_hull": 2.120269183333334,
"spacegroup": 139
},
{
"id": "jvasp-37038",
"created_at": "2022-09-04T14:38:06.900326Z",
"updated_at": "2022-09-04T14:38:06.900352Z",
"structure_string": "Ti1 Al3\n1.0\n3.988878 0.000000 -0.000000\n-0.000000 3.988878 0.000000\n0.000000 0.000000 3.988878\nTi Al\n1 3\ndirect\n0.000000 0.000000 0.000000 Ti\n0.500000 0.500000 0.000000 Al\n0.500000 0.000000 0.500000 Al\n0.000000 0.500000 0.500000 Al\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ti",
"Al"
],
"chemical_system": "Al-Ti",
"density": 3.370170437147022,
"density_atomic": 0.06302425643418981,
"volume": 63.46762701082902,
"volume_molar": 9.55527458905976,
"formula_full": "Ti1 Al3",
"formula_reduced": "TiAl3",
"formula_anonymous": "AB3",
"energy_above_hull": 2.1264441833333336,
"spacegroup": 221
},
{
"id": "jvasp-105372",
"created_at": "2022-09-04T14:36:56.016142Z",
"updated_at": "2022-09-04T14:36:56.016172Z",
"structure_string": "Ti1 Al3\n1.0\n2.798313 0.000000 0.000000\n0.000000 4.718088 0.000000\n-0.000000 0.000000 4.930768\nTi Al\n1 3\ndirect\n-0.000000 0.500000 0.162296 Ti\n0.499999 0.500000 0.664076 Al\n0.499999 0.000000 0.333390 Al\n0.000000 0.000000 0.840238 Al\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ti",
"Al"
],
"chemical_system": "Al-Ti",
"density": 3.2856948699522963,
"density_atomic": 0.06144451146027953,
"volume": 65.0993865023368,
"volume_molar": 9.800941722667908,
"formula_full": "Ti1 Al3",
"formula_reduced": "TiAl3",
"formula_anonymous": "AB3",
"energy_above_hull": 2.158121683333334,
"spacegroup": 25
},
{
"id": "jvasp-101099",
"created_at": "2022-09-04T14:36:33.919600Z",
"updated_at": "2022-09-04T14:36:33.919620Z",
"structure_string": "Ti1 Al6 Mo1\n1.0\n3.810622 0.000000 0.000000\n0.000000 3.810622 0.000000\n0.000000 -0.000000 8.489991\nTi Al Mo\n1 6 1\ndirect\n0.500000 0.500000 0.500000 Ti\n0.500000 0.500000 -0.000000 Al\n0.000000 0.000000 0.500000 Al\n-0.000000 0.500000 0.251713 Al\n0.500000 0.000000 0.748287 Al\n0.500000 0.000000 0.251713 Al\n-0.000000 0.500000 0.748287 Al\n0.000000 0.000000 0.000000 Mo\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ti",
"Al",
"Mo"
],
"chemical_system": "Al-Mo-Ti",
"density": 4.117562611734741,
"density_atomic": 0.06489197858871869,
"volume": 123.2818011406849,
"volume_molar": 9.280254495194164,
"formula_full": "Ti1 Al6 Mo1",
"formula_reduced": "TiAl6Mo",
"formula_anonymous": "ABC6",
"energy_above_hull": 2.8590938791666667,
"spacegroup": 123
}
]
}