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=4006",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_reduced&page=4004",
"results": [
{
"id": "jvasp-98869",
"created_at": "2022-09-04T14:36:16.944531Z",
"updated_at": "2022-09-04T14:36:16.944558Z",
"structure_string": "Ti8 Sn12\n1.0\n5.743740 -0.000027 -1.713446\n0.000060 7.047057 0.000127\n0.000070 0.000169 10.483863\nTi Sn\n8 12\ndirect\n0.081397 0.454264 0.161621 Ti\n0.587235 0.250368 0.673317 Ti\n0.913857 0.750340 0.326431 Ti\n0.413873 0.750386 0.326437 Ti\n0.581394 0.046472 0.161614 Ti\n0.087240 0.250370 0.673324 Ti\n0.919687 0.546473 0.838136 Ti\n0.419684 0.954265 0.838144 Ti\n0.270693 0.750340 0.040127 Sn\n0.776230 0.572931 0.551257 Sn\n0.730366 0.250411 0.959624 Sn\n0.379287 0.574368 0.757421 Sn\n0.121785 0.074359 0.242330 Sn\n0.879299 0.926386 0.757426 Sn\n0.276219 0.927783 0.551247 Sn\n0.724886 0.072922 0.448505 Sn\n0.230381 0.250355 0.959630 Sn\n0.224885 0.427791 0.448507 Sn\n0.770688 0.750391 0.040124 Sn\n0.621790 0.426367 0.242343 Sn\n",
"nsites": 20,
"nelements": 2,
"elements": [
"Ti",
"Sn"
],
"chemical_system": "Sn-Ti",
"density": 7.072811315361236,
"density_atomic": 0.04713084614479745,
"volume": 424.35053974110974,
"volume_molar": 12.777493409514683,
"formula_full": "Ti8 Sn12",
"formula_reduced": "Ti2Sn3",
"formula_anonymous": "A2B3",
"energy_above_hull": 1.836508353333334,
"spacegroup": 64
},
{
"id": "jvasp-13824",
"created_at": "2022-09-04T14:36:13.005740Z",
"updated_at": "2022-09-04T14:36:13.005768Z",
"structure_string": "Ti4 Sn2 C2\n1.0\n1.590526 -2.754872 -0.000000\n1.590526 2.754872 -0.000000\n0.000000 0.000000 13.743769\nTi Sn C\n4 2 2\ndirect\n0.333335 0.666668 0.080910 Ti\n0.333335 0.666668 0.419090 Ti\n0.666668 0.333335 0.580910 Ti\n0.666668 0.333335 0.919091 Ti\n0.333335 0.666668 0.750000 Sn\n0.666668 0.333335 0.250000 Sn\n0.000000 0.000000 0.000000 C\n0.000000 0.000000 0.500000 C\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ti",
"Sn",
"C"
],
"chemical_system": "C-Sn-Ti",
"density": 6.244280320612616,
"density_atomic": 0.06642199971759866,
"volume": 120.44202273362724,
"volume_molar": 9.06648517901279,
"formula_full": "Ti4 Sn2 C2",
"formula_reduced": "Ti2SnC",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.331639591666667,
"spacegroup": 194
},
{
"id": "jvasp-15279",
"created_at": "2022-09-04T14:36:33.414840Z",
"updated_at": "2022-09-04T14:36:33.414866Z",
"structure_string": "Ti4 Sn2 C2\n1.0\n1.590526 -2.754872 0.000000\n1.590526 2.754872 -0.000000\n-0.000000 0.000000 13.743769\nTi Sn C\n4 2 2\ndirect\n0.333335 0.666668 0.080910 Ti\n0.333335 0.666668 0.419090 Ti\n0.666668 0.333335 0.580910 Ti\n0.666668 0.333335 0.919091 Ti\n0.333335 0.666668 0.750000 Sn\n0.666668 0.333335 0.250000 Sn\n0.000000 0.000000 0.000000 C\n0.000000 0.000000 0.500000 C\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ti",
"Sn",
"C"
],
"chemical_system": "C-Sn-Ti",
"density": 6.244280320612616,
"density_atomic": 0.06642199971759866,
"volume": 120.44202273362724,
"volume_molar": 9.06648517901279,
"formula_full": "Ti4 Sn2 C2",
"formula_reduced": "Ti2SnC",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.331639591666667,
"spacegroup": 194
},
{
"id": "jvasp-115322",
"created_at": "2022-09-04T14:38:46.081287Z",
"updated_at": "2022-09-04T14:38:46.081302Z",
"structure_string": "Ti2 S1 O2\n1.0\n3.435385 -0.000000 0.000000\n-1.717693 2.975131 -0.000000\n-0.000000 -0.000000 6.058991\nTi S O\n2 1 2\ndirect\n0.666668 0.333333 0.788633 Ti\n0.333334 0.666666 0.211368 Ti\n0.000000 0.000000 0.500000 S\n0.666668 0.333333 0.133321 O\n0.333334 0.666666 0.866679 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ti",
"S",
"O"
],
"chemical_system": "O-S-Ti",
"density": 4.2848742175107555,
"density_atomic": 0.08073989656197389,
"volume": 61.927252980341976,
"volume_molar": 7.458692686554978,
"formula_full": "Ti2 S1 O2",
"formula_reduced": "Ti2SO2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 2.566446733333333,
"spacegroup": 164
},
{
"id": "jvasp-39773",
"created_at": "2022-09-04T14:37:45.670346Z",
"updated_at": "2022-09-04T14:37:45.670381Z",
"structure_string": "Ti2 Tc1 Ir1\n1.0\n-0.000000 3.097309 3.097309\n3.097309 0.000000 3.097309\n3.097309 3.097309 -0.000000\nTi Tc Ir\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Ti\n0.499999 0.499999 0.499999 Ti\n0.750000 0.750000 0.750000 Tc\n0.250000 0.250000 0.250000 Ir\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ti",
"Tc",
"Ir"
],
"chemical_system": "Ir-Tc-Ti",
"density": 10.784441746202548,
"density_atomic": 0.0673095043009042,
"volume": 59.42697159257295,
"volume_molar": 8.94693969677489,
"formula_full": "Ti2 Tc1 Ir1",
"formula_reduced": "Ti2TcIr",
"formula_anonymous": "ABC2",
"energy_above_hull": 4.2125573166666666,
"spacegroup": 225
},
{
"id": "jvasp-39806",
"created_at": "2022-09-04T14:37:32.844318Z",
"updated_at": "2022-09-04T14:37:32.844336Z",
"structure_string": "Ti2 Tc1 Ni1\n1.0\n0.000000 3.051785 3.051785\n3.051785 -0.000000 3.051785\n3.051785 3.051785 0.000000\nTi Tc Ni\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Ti\n0.499999 0.499999 0.499999 Ti\n0.749999 0.749999 0.749999 Tc\n0.250000 0.250000 0.250000 Ni\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ti",
"Tc",
"Ni"
],
"chemical_system": "Ni-Tc-Ti",
"density": 7.373841422519768,
"density_atomic": 0.07036686350796871,
"volume": 56.84493809429234,
"volume_molar": 8.558205467432867,
"formula_full": "Ti2 Tc1 Ni1",
"formula_reduced": "Ti2TcNi",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.4088101416666667,
"spacegroup": 225
},
{
"id": "jvasp-39804",
"created_at": "2022-09-04T14:37:48.221728Z",
"updated_at": "2022-09-04T14:37:48.221758Z",
"structure_string": "Ti2 Tc1 Os1\n1.0\n0.000000 3.096980 3.096980\n3.096980 -0.000000 3.096980\n3.096980 3.096980 0.000000\nTi Tc Os\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Ti\n0.500000 0.500000 0.500000 Ti\n0.750000 0.750000 0.750000 Tc\n0.250000 0.250000 0.250000 Os\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ti",
"Tc",
"Os"
],
"chemical_system": "Os-Tc-Ti",
"density": 10.73233961215277,
"density_atomic": 0.06733095795526989,
"volume": 59.40803638435277,
"volume_molar": 8.944088934544347,
"formula_full": "Ti2 Tc1 Os1",
"formula_reduced": "Ti2TcOs",
"formula_anonymous": "ABC2",
"energy_above_hull": 4.597533291666666,
"spacegroup": 225
},
{
"id": "jvasp-39855",
"created_at": "2022-09-04T14:37:43.269047Z",
"updated_at": "2022-09-04T14:37:43.269067Z",
"structure_string": "Ti2 Tc1 Pd1\n1.0\n0.000000 3.123255 3.123255\n3.123255 -0.000000 3.123255\n3.123255 3.123255 -0.000000\nTi Tc Pd\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Ti\n0.499999 0.499999 0.499999 Ti\n0.749998 0.749998 0.749998 Tc\n0.250000 0.250000 0.250000 Pd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ti",
"Tc",
"Pd"
],
"chemical_system": "Pd-Tc-Ti",
"density": 8.179766480670605,
"density_atomic": 0.06564590863030484,
"volume": 60.9329672398416,
"volume_molar": 9.173672641069869,
"formula_full": "Ti2 Tc1 Pd1",
"formula_reduced": "Ti2TcPd",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.5527684666666666,
"spacegroup": 225
},
{
"id": "jvasp-39852",
"created_at": "2022-09-04T14:37:46.997213Z",
"updated_at": "2022-09-04T14:37:46.997236Z",
"structure_string": "Ti2 Tc1 Pt1\n1.0\n-0.000000 3.123287 3.123287\n3.123287 -0.000000 3.123287\n3.123287 3.123287 0.000000\nTi Tc 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 Tc\n0.250000 0.250000 0.250000 Pt\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ti",
"Tc",
"Pt"
],
"chemical_system": "Pt-Tc-Ti",
"density": 10.595703164929374,
"density_atomic": 0.06564389090261577,
"volume": 60.934840165615604,
"volume_molar": 9.173954616635971,
"formula_full": "Ti2 Tc1 Pt1",
"formula_reduced": "Ti2TcPt",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.741974891666666,
"spacegroup": 225
},
{
"id": "jvasp-39652",
"created_at": "2022-09-04T14:37:42.098627Z",
"updated_at": "2022-09-04T14:37:42.098650Z",
"structure_string": "Ti2 Tc1 Rh1\n1.0\n0.000000 3.092889 3.092889\n3.092889 -0.000000 3.092889\n3.092889 3.092889 0.000000\nTi Tc Rh\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Ti\n0.499999 0.499999 0.499999 Ti\n0.749999 0.749999 0.749999 Tc\n0.250000 0.250000 0.250000 Rh\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ti",
"Tc",
"Rh"
],
"chemical_system": "Rh-Tc-Ti",
"density": 8.324441013827359,
"density_atomic": 0.06759848981799073,
"volume": 59.172919554416374,
"volume_molar": 8.908691268421297,
"formula_full": "Ti2 Tc1 Rh1",
"formula_reduced": "Ti2TcRh",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.810875291666666,
"spacegroup": 225
},
{
"id": "jvasp-79986",
"created_at": "2022-09-04T14:37:17.145112Z",
"updated_at": "2022-09-04T14:37:17.145133Z",
"structure_string": "Ti2 Tc1 Ru1\n1.0\n0.000000 3.087464 3.087464\n3.087464 -0.000000 3.087464\n3.087464 3.087464 -0.000000\nTi Tc Ru\n2 1 1\ndirect\n0.499999 0.499999 0.499999 Ti\n0.000000 0.000000 0.000000 Ti\n0.750000 0.750000 0.750000 Tc\n0.250000 0.250000 0.250000 Ru\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ti",
"Tc",
"Ru"
],
"chemical_system": "Ru-Tc-Ti",
"density": 8.316618241530401,
"density_atomic": 0.06795544933581318,
"volume": 58.86209331400832,
"volume_molar": 8.861895284130325,
"formula_full": "Ti2 Tc1 Ru1",
"formula_reduced": "Ti2TcRu",
"formula_anonymous": "ABC2",
"energy_above_hull": 4.234222166666666,
"spacegroup": 225
},
{
"id": "jvasp-16763",
"created_at": "2022-09-04T14:38:07.628570Z",
"updated_at": "2022-09-04T14:38:07.628593Z",
"structure_string": "Ti2 Te2 P1\n1.0\n3.611363 0.009550 9.181548\n1.748561 3.159837 9.181548\n0.016151 0.009550 9.866230\nTi Te P\n2 2 1\ndirect\n0.379238 0.379239 0.379240 Ti\n0.620760 0.620761 0.620762 Ti\n0.775460 0.775462 0.775462 Te\n0.224538 0.224539 0.224539 Te\n0.000000 0.000000 0.000000 P\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ti",
"Te",
"P"
],
"chemical_system": "P-Te-Ti",
"density": 5.672820318650482,
"density_atomic": 0.044726143163472926,
"volume": 111.79144112035607,
"volume_molar": 13.464475883800725,
"formula_full": "Ti2 Te2 P1",
"formula_reduced": "Ti2Te2P",
"formula_anonymous": "AB2C2",
"energy_above_hull": 2.46567754,
"spacegroup": 166
}
]
}