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_reduced&page=641",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_reduced&page=639",
"results": [
{
"id": "jvasp-99920",
"created_at": "2022-09-04T14:36:45.459618Z",
"updated_at": "2022-09-04T14:36:45.459651Z",
"structure_string": "Ti2 Si6 Mo1\n1.0\n4.748734 0.000684 0.000000\n-2.381744 4.108256 0.000000\n0.000000 0.000000 6.550207\nTi Si Mo\n2 6 1\ndirect\n0.499999 -0.000001 0.665952 Ti\n0.000001 0.500000 0.334049 Ti\n0.166705 0.833297 0.000000 Si\n0.157173 0.317256 0.667494 Si\n0.682744 0.842827 0.332506 Si\n0.833296 0.166703 0.000000 Si\n0.842827 0.682744 0.667494 Si\n0.317256 0.157173 0.332506 Si\n0.500000 0.500000 0.000000 Mo\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Ti",
"Si",
"Mo"
],
"chemical_system": "Mo-Si-Ti",
"density": 4.680050083508524,
"density_atomic": 0.07042321999081048,
"volume": 127.7987573015606,
"volume_molar": 8.551356726923062,
"formula_full": "Ti2 Si6 Mo1",
"formula_reduced": "Ti2Si6Mo",
"formula_anonymous": "AB2C6",
"energy_above_hull": 4.2188715740740745,
"spacegroup": 21
},
{
"id": "jvasp-36225",
"created_at": "2022-09-04T14:36:49.032749Z",
"updated_at": "2022-09-04T14:36:49.032768Z",
"structure_string": "Ti2 Si1\n1.0\n3.067773 3.067773 0.000000\n3.067773 0.000000 -3.067773\n0.000000 3.067773 -3.067773\nTi Si\n2 1\ndirect\n0.000000 0.000000 0.000000 Ti\n0.749999 0.749999 0.749999 Ti\n0.250000 0.250000 0.250000 Si\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Ti",
"Si"
],
"chemical_system": "Si-Ti",
"density": 3.5607254221672573,
"density_atomic": 0.05195431181860359,
"volume": 57.743041818634424,
"volume_molar": 11.591224191412763,
"formula_full": "Ti2 Si1",
"formula_reduced": "Ti2Si",
"formula_anonymous": "AB2",
"energy_above_hull": 3.287428422222222,
"spacegroup": 216
},
{
"id": "jvasp-96848",
"created_at": "2022-09-04T14:35:52.958687Z",
"updated_at": "2022-09-04T14:35:52.958716Z",
"structure_string": "Ti24 Se12\n1.0\n3.459233 0.000000 0.000000\n0.000000 11.757221 0.000000\n0.000000 -0.000000 14.517035\nTi Se\n24 12\ndirect\n0.500000 0.357168 0.521037 Ti\n0.500000 0.685569 0.704603 Ti\n0.000000 0.907124 0.738714 Ti\n0.500000 0.407124 0.761287 Ti\n0.500000 0.314431 0.295397 Ti\n0.000000 0.142832 0.021036 Ti\n0.000000 0.112802 0.573660 Ti\n0.500000 0.592875 0.238713 Ti\n0.000000 0.414033 0.924625 Ti\n0.500000 0.028468 0.892199 Ti\n0.000000 0.528468 0.607801 Ti\n0.000000 0.857168 0.978964 Ti\n0.000000 0.585967 0.075375 Ti\n0.000000 0.814431 0.204603 Ti\n0.000000 0.092876 0.261287 Ti\n0.000000 0.185569 0.795397 Ti\n0.500000 0.387198 0.073660 Ti\n0.000000 0.471532 0.392199 Ti\n0.500000 0.642832 0.478964 Ti\n0.500000 0.612802 0.926340 Ti\n0.500000 0.971531 0.107801 Ti\n0.500000 0.914033 0.575375 Ti\n0.000000 0.887198 0.426340 Ti\n0.500000 0.085967 0.424625 Ti\n0.500000 0.811891 0.849470 Se\n0.500000 0.065824 0.705871 Se\n0.000000 0.245425 0.414180 Se\n0.000000 0.434176 0.205871 Se\n0.000000 0.688109 0.349470 Se\n0.000000 0.311891 0.650531 Se\n0.500000 0.934176 0.294129 Se\n0.000000 0.565824 0.794129 Se\n0.500000 0.188109 0.150530 Se\n0.000000 0.754575 0.585820 Se\n0.500000 0.745425 0.085820 Se\n0.500000 0.254575 0.914180 Se\n",
"nsites": 36,
"nelements": 2,
"elements": [
"Ti",
"Se"
],
"chemical_system": "Se-Ti",
"density": 5.895843019728197,
"density_atomic": 0.06097335325071835,
"volume": 590.4218495573043,
"volume_molar": 9.876676349482306,
"formula_full": "Ti24 Se12",
"formula_reduced": "Ti2Se",
"formula_anonymous": "AB2",
"energy_above_hull": 2.398750011111112,
"spacegroup": 58
},
{
"id": "jvasp-86501",
"created_at": "2022-09-04T14:35:47.535309Z",
"updated_at": "2022-09-04T14:35:47.535336Z",
"structure_string": "Ti4 Sb2 P2\n1.0\n3.655548 0.000000 -0.000000\n-1.827774 3.165798 0.000000\n-0.000000 0.000000 12.602459\nTi Sb P\n4 2 2\ndirect\n0.666668 0.333333 0.600611 Ti\n0.333334 0.666667 0.399389 Ti\n0.333334 0.666667 0.100611 Ti\n0.666668 0.333333 0.899389 Ti\n0.666668 0.333333 0.250000 Sb\n0.333334 0.666667 0.750000 Sb\n0.000000 0.000000 0.500000 P\n0.000000 0.000000 0.000000 P\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ti",
"Sb",
"P"
],
"chemical_system": "P-Sb-Ti",
"density": 5.657937644993082,
"density_atomic": 0.05485282540795149,
"volume": 145.8448118306102,
"volume_molar": 10.9787248244956,
"formula_full": "Ti4 Sb2 P2",
"formula_reduced": "Ti2SbP",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.823764566666666,
"spacegroup": 194
},
{
"id": "jvasp-110931",
"created_at": "2022-09-04T14:38:37.499850Z",
"updated_at": "2022-09-04T14:38:37.499869Z",
"structure_string": "Ti4 Sb2\n1.0\n3.805917 0.002118 -6.902705\n-0.250340 3.797676 -6.902705\n-0.001982 -0.002118 7.882407\nTi Sb\n4 2\ndirect\n0.170278 0.170279 0.000001 Ti\n0.829722 0.829723 0.000003 Ti\n0.500001 0.000000 0.500001 Ti\n0.000000 0.500000 0.500001 Ti\n0.359221 0.359221 0.000001 Sb\n0.640780 0.640780 0.000002 Sb\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Ti",
"Sb"
],
"chemical_system": "Sb-Ti",
"density": 6.34597795398176,
"density_atomic": 0.05271369211832287,
"volume": 113.82241992331336,
"volume_molar": 11.42424390703369,
"formula_full": "Ti4 Sb2",
"formula_reduced": "Ti2Sb",
"formula_anonymous": "AB2",
"energy_above_hull": 2.591224255555556,
"spacegroup": 139
},
{
"id": "jvasp-109430",
"created_at": "2022-09-04T14:38:16.114467Z",
"updated_at": "2022-09-04T14:38:16.114495Z",
"structure_string": "Ti4 S6\n1.0\n5.867336 -0.002959 0.972796\n-3.172834 4.935460 0.972796\n-0.000810 -0.001482 6.028293\nTi S\n4 6\ndirect\n0.672791 0.327209 0.000001 Ti\n0.327210 0.672790 0.000001 Ti\n0.000000 0.000000 0.000000 Ti\n0.500001 0.500000 0.500000 Ti\n0.418062 0.081538 0.741558 S\n0.081539 0.418062 0.741558 S\n0.750740 0.750739 0.752042 S\n0.581939 0.918462 0.258442 S\n0.249261 0.249261 0.247959 S\n0.918463 0.581938 0.258442 S\n",
"nsites": 10,
"nelements": 2,
"elements": [
"Ti",
"S"
],
"chemical_system": "S-Ti",
"density": 3.652207577052319,
"density_atomic": 0.05729751137490507,
"volume": 174.52764980609192,
"volume_molar": 10.510300736442723,
"formula_full": "Ti4 S6",
"formula_reduced": "Ti2S3",
"formula_anonymous": "A2B3",
"energy_above_hull": 2.531429333333333,
"spacegroup": 12
},
{
"id": "jvasp-100241",
"created_at": "2022-09-04T14:36:35.917386Z",
"updated_at": "2022-09-04T14:36:35.917410Z",
"structure_string": "Ti2 Ru1 Rh1\n1.0\n3.782899 -0.000000 2.184058\n1.260967 3.566552 2.184058\n0.000000 0.000000 4.368116\nTi Ru Rh\n2 1 1\ndirect\n0.750001 0.750000 0.750001 Ti\n0.250000 0.250000 0.250000 Ti\n0.000000 0.000000 0.000000 Ru\n0.500001 0.500000 0.500001 Rh\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ti",
"Ru",
"Rh"
],
"chemical_system": "Rh-Ru-Ti",
"density": 8.444659385982645,
"density_atomic": 0.06787229301736118,
"volume": 58.93421044397059,
"volume_molar": 8.872752771826324,
"formula_full": "Ti2 Ru1 Rh1",
"formula_reduced": "Ti2RuRh",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.5720225416666667,
"spacegroup": 225
},
{
"id": "jvasp-35761",
"created_at": "2022-09-04T14:37:32.690791Z",
"updated_at": "2022-09-04T14:37:32.690818Z",
"structure_string": "Ti2 Rh1\n1.0\n3.063002 -0.000000 0.000000\n-0.000000 3.063002 0.000000\n-1.531502 -1.531502 4.893099\nTi Rh\n2 1\ndirect\n0.662273 0.662273 0.324548 Ti\n0.337727 0.337727 0.675452 Ti\n0.000000 0.000000 0.000000 Rh\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Ti",
"Rh"
],
"chemical_system": "Rh-Ti",
"density": 7.185155100093952,
"density_atomic": 0.06534956352107843,
"volume": 45.906963082199525,
"volume_molar": 9.215273118170968,
"formula_full": "Ti2 Rh1",
"formula_reduced": "Ti2Rh",
"formula_anonymous": "AB2",
"energy_above_hull": 2.909593222222223,
"spacegroup": 139
},
{
"id": "jvasp-79395",
"created_at": "2022-09-04T14:37:18.206898Z",
"updated_at": "2022-09-04T14:37:18.206925Z",
"structure_string": "Ti2 Re1 Tc1\n1.0\n0.000000 3.108778 3.108778\n3.108778 0.000000 3.108778\n3.108778 3.108778 -0.000000\nTi Re Tc\n2 1 1\ndirect\n0.500000 0.500000 0.500000 Ti\n0.000000 0.000000 0.000000 Ti\n0.250000 0.250000 0.250000 Re\n0.750001 0.750001 0.750001 Tc\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ti",
"Re",
"Tc"
],
"chemical_system": "Re-Tc-Ti",
"density": 10.49943994032759,
"density_atomic": 0.0665672883354725,
"volume": 60.089574023829854,
"volume_molar": 9.046696824498575,
"formula_full": "Ti2 Re1 Tc1",
"formula_reduced": "Ti2ReTc",
"formula_anonymous": "ABC2",
"energy_above_hull": 4.888789041666667,
"spacegroup": 225
},
{
"id": "jvasp-110533",
"created_at": "2022-09-04T14:38:38.749346Z",
"updated_at": "2022-09-04T14:38:38.749362Z",
"structure_string": "Ti2 Re1 Pt1\n1.0\n3.175694 0.000000 -0.000000\n0.000000 3.175694 0.000000\n0.000000 0.000000 6.128746\nTi Re Pt\n2 1 1\ndirect\n0.499999 0.499999 0.258909 Ti\n0.499999 0.499999 0.741091 Ti\n0.000000 0.000000 0.500000 Re\n0.000000 0.000000 0.000000 Pt\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ti",
"Re",
"Pt"
],
"chemical_system": "Pt-Re-Ti",
"density": 12.815670057154788,
"density_atomic": 0.0647159113627792,
"volume": 61.8086018688221,
"volume_molar": 9.305502515821145,
"formula_full": "Ti2 Re1 Pt1",
"formula_reduced": "Ti2RePt",
"formula_anonymous": "ABC2",
"energy_above_hull": 4.108234016666667,
"spacegroup": 123
},
{
"id": "jvasp-39805",
"created_at": "2022-09-04T14:37:45.750964Z",
"updated_at": "2022-09-04T14:37:45.750981Z",
"structure_string": "Ti2 Re1 Pt1\n1.0\n-0.000000 3.132952 3.132952\n3.132952 0.000000 3.132952\n3.132952 3.132952 0.000000\nTi Re Pt\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Ti\n0.500000 0.500000 0.500000 Ti\n0.750000 0.750000 0.750000 Re\n0.250000 0.250000 0.250000 Pt\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ti",
"Re",
"Pt"
],
"chemical_system": "Pt-Re-Ti",
"density": 12.879500452788267,
"density_atomic": 0.06503823881094577,
"volume": 61.50228039887836,
"volume_molar": 9.259384740575861,
"formula_full": "Ti2 Re1 Pt1",
"formula_reduced": "Ti2RePt",
"formula_anonymous": "ABC2",
"energy_above_hull": 4.1257640166666665,
"spacegroup": 225
},
{
"id": "jvasp-41638",
"created_at": "2022-09-04T14:37:44.886585Z",
"updated_at": "2022-09-04T14:37:44.886606Z",
"structure_string": "Ti2 Re1 Pd1\n1.0\n-0.000000 3.131645 3.131645\n3.131645 0.000000 3.131645\n3.131645 3.131645 0.000000\nTi Re Pd\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Ti\n0.499999 0.499999 0.499999 Ti\n0.749999 0.749999 0.749999 Re\n0.250000 0.250000 0.250000 Pd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ti",
"Re",
"Pd"
],
"chemical_system": "Pd-Re-Ti",
"density": 10.498738957213499,
"density_atomic": 0.06511970442416667,
"volume": 61.42534023105231,
"volume_molar": 9.2478011275572,
"formula_full": "Ti2 Re1 Pd1",
"formula_reduced": "Ti2RePd",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.9314750916666665,
"spacegroup": 225
}
]
}