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=4030",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_full&page=4028",
"results": [
{
"id": "jvasp-42261",
"created_at": "2022-09-04T14:35:51.782145Z",
"updated_at": "2022-09-04T14:35:51.782175Z",
"structure_string": "Ti1 V1 O4\n1.0\n5.441062 0.252088 0.000000\n2.607941 4.781982 -0.000000\n-4.024502 -2.517034 2.671447\nTi V O\n1 1 4\ndirect\n0.750000 0.250001 0.500001 Ti\n0.000000 0.000000 0.000000 V\n0.537238 0.037239 0.500001 O\n0.205735 0.205735 0.000000 O\n0.962762 0.462763 0.500001 O\n0.794264 0.794265 0.000000 O\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ti",
"V",
"O"
],
"chemical_system": "O-Ti-V",
"density": 3.9902127049060487,
"density_atomic": 0.08855794437526122,
"volume": 67.75225014906859,
"volume_molar": 6.800226453407033,
"formula_full": "Ti1 V1 O4",
"formula_reduced": "TiVO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.821262755555556,
"spacegroup": 119
},
{
"id": "jvasp-52735",
"created_at": "2022-09-04T14:37:32.918485Z",
"updated_at": "2022-09-04T14:37:32.918503Z",
"structure_string": "Ti1 V1 O4\n1.0\n2.915887 0.000000 0.000000\n0.000000 4.612173 -0.018707\n0.000000 -0.018707 4.612173\nTi V O\n1 1 4\ndirect\n0.500001 0.499999 0.499999 Ti\n0.000000 0.000000 0.000000 V\n0.000000 0.300694 0.300694 O\n0.500001 0.806366 0.193632 O\n0.500001 0.193632 0.806366 O\n0.000000 0.699305 0.699305 O\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ti",
"V",
"O"
],
"chemical_system": "O-Ti-V",
"density": 4.3585802572856664,
"density_atomic": 0.0967334166184266,
"volume": 62.02613543226249,
"volume_molar": 6.225501972865137,
"formula_full": "Ti1 V1 O4",
"formula_reduced": "TiVO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.818167755555556,
"spacegroup": 65
},
{
"id": "jvasp-39840",
"created_at": "2022-09-04T14:37:50.290881Z",
"updated_at": "2022-09-04T14:37:50.290891Z",
"structure_string": "Ti1 V1 Re2\n1.0\n-0.000000 3.075987 3.075987\n3.075987 0.000000 3.075987\n3.075987 3.075987 -0.000000\nTi V Re\n1 1 2\ndirect\n0.250000 0.250000 0.250000 Ti\n0.750001 0.750001 0.750001 V\n0.000000 0.000000 0.000000 Re\n0.500000 0.500000 0.500000 Re\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ti",
"V",
"Re"
],
"chemical_system": "Re-Ti-V",
"density": 13.442858702147058,
"density_atomic": 0.06871894898829894,
"volume": 58.20810793659106,
"volume_molar": 8.763435484185614,
"formula_full": "Ti1 V1 Re2",
"formula_reduced": "TiVRe2",
"formula_anonymous": "ABC2",
"energy_above_hull": 5.402927133333334,
"spacegroup": 225
},
{
"id": "jvasp-108971",
"created_at": "2022-09-04T14:38:18.641487Z",
"updated_at": "2022-09-04T14:38:18.641512Z",
"structure_string": "Ti1 V1 Ru2\n1.0\n3.721618 -0.000000 2.148677\n1.240539 3.508776 2.148677\n-0.000000 -0.000000 4.297355\nTi V Ru\n1 1 2\ndirect\n0.500000 0.500001 0.500000 Ti\n0.000000 0.000000 0.000000 V\n0.250000 0.250000 0.250000 Ru\n0.750000 0.750001 0.750000 Ru\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ti",
"V",
"Ru"
],
"chemical_system": "Ru-Ti-V",
"density": 8.905383188251527,
"density_atomic": 0.0712805959822647,
"volume": 56.11625358737514,
"volume_molar": 8.448499450675701,
"formula_full": "Ti1 V1 Ru2",
"formula_reduced": "TiVRu2",
"formula_anonymous": "ABC2",
"energy_above_hull": 4.169173383333334,
"spacegroup": 225
},
{
"id": "jvasp-102659",
"created_at": "2022-09-04T14:36:46.440377Z",
"updated_at": "2022-09-04T14:36:46.440393Z",
"structure_string": "Ti1 V1 Se4\n1.0\n3.469525 0.000000 0.000000\n0.000000 6.021638 0.018710\n-0.000000 -0.003245 6.104951\nTi V Se\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Ti\n0.500001 0.500000 -0.000000 V\n-0.000000 0.662476 0.747011 Se\n0.500001 0.170388 0.743393 Se\n0.500001 0.829613 0.256607 Se\n-0.000000 0.337525 0.252989 Se\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ti",
"V",
"Se"
],
"chemical_system": "Se-Ti-V",
"density": 5.398357371137542,
"density_atomic": 0.04704177341484437,
"volume": 127.54621189741663,
"volume_molar": 12.801687357517158,
"formula_full": "Ti1 V1 Se4",
"formula_reduced": "TiVSe4",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.385862666666667,
"spacegroup": 10
},
{
"id": "jvasp-39838",
"created_at": "2022-09-04T14:37:49.560170Z",
"updated_at": "2022-09-04T14:37:49.560179Z",
"structure_string": "Ti1 V1 Tc2\n1.0\n0.000000 3.058412 3.058412\n3.058412 0.000000 3.058412\n3.058412 3.058412 -0.000000\nTi V Tc\n1 1 2\ndirect\n0.250001 0.250001 0.250001 Ti\n0.749999 0.749999 0.749999 V\n0.000000 0.000000 0.000000 Tc\n0.499999 0.499999 0.499999 Tc\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ti",
"V",
"Tc"
],
"chemical_system": "Tc-Ti-V",
"density": 8.556007090845782,
"density_atomic": 0.06991043889499457,
"volume": 57.216061910410794,
"volume_molar": 8.614079463934207,
"formula_full": "Ti1 V1 Tc2",
"formula_reduced": "TiVTc2",
"formula_anonymous": "ABC2",
"energy_above_hull": 4.656611383333334,
"spacegroup": 225
},
{
"id": "jvasp-51159",
"created_at": "2022-09-04T14:36:49.591202Z",
"updated_at": "2022-09-04T14:36:49.591223Z",
"structure_string": "Ti1 V1 W1\n1.0\n0.000000 2.975965 2.975965\n2.975965 -0.000000 2.975965\n2.975965 2.975965 0.000000\nTi V W\n1 1 1\ndirect\n0.250000 0.250000 0.250000 Ti\n0.000000 0.000000 0.000000 V\n0.500001 0.500001 0.500001 W\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ti",
"V",
"W"
],
"chemical_system": "Ti-V-W",
"density": 8.903942140021046,
"density_atomic": 0.05691251809717643,
"volume": 52.712480492913514,
"volume_molar": 10.581399244569312,
"formula_full": "Ti1 V1 W1",
"formula_reduced": "TiVW",
"formula_anonymous": "ABC",
"energy_above_hull": 5.1079341777777785,
"spacegroup": 216
},
{
"id": "jvasp-30358",
"created_at": "2022-09-04T14:37:14.232784Z",
"updated_at": "2022-09-04T14:37:14.232804Z",
"structure_string": "Ti1 V2 Cr1 O10\n1.0\n6.625328 -0.000000 0.000000\n0.000000 6.625328 -0.000000\n-0.000000 -0.000000 4.158000\nTi V Cr O\n1 2 1 10\ndirect\n0.750000 0.250000 0.500000 Ti\n0.250000 0.250000 0.644494 V\n0.750000 0.750000 0.355506 V\n0.250000 0.750000 0.500000 Cr\n0.045478 0.750000 0.269983 O\n0.250000 0.250000 0.254726 O\n0.250000 0.545478 0.730017 O\n0.250000 0.954523 0.730017 O\n0.454523 0.750000 0.269983 O\n0.517716 0.250000 0.742626 O\n0.750000 0.017716 0.257374 O\n0.750000 0.482284 0.257374 O\n0.750000 0.750000 0.745274 O\n0.982284 0.250000 0.742626 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Ti",
"V",
"Cr",
"O"
],
"chemical_system": "Cr-O-Ti-V",
"density": 3.291141078914508,
"density_atomic": 0.07670590234018013,
"volume": 182.5152898653343,
"volume_molar": 7.850948331580319,
"formula_full": "Ti1 V2 Cr1 O10",
"formula_reduced": "TiV2CrO10",
"formula_anonymous": "ABC2D10",
"energy_above_hull": 3.491997795238095,
"spacegroup": 115
},
{
"id": "jvasp-35459",
"created_at": "2022-09-04T14:37:34.025136Z",
"updated_at": "2022-09-04T14:37:34.025157Z",
"structure_string": "Ti1 V2 Te4\n1.0\n0.000000 4.019065 0.000000\n-0.088355 0.000000 7.050999\n6.056923 -2.009533 -3.469803\nTi V Te\n1 2 4\ndirect\n0.000000 0.000000 0.000000 Ti\n0.245518 0.269211 0.491033 V\n0.754484 0.730789 0.508967 V\n0.117643 0.459109 0.235287 Te\n0.882359 0.540892 0.764713 Te\n0.368510 0.041679 0.737017 Te\n0.631492 0.958322 0.262983 Te\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Ti",
"V",
"Te"
],
"chemical_system": "Te-Ti-V",
"density": 6.432692812358788,
"density_atomic": 0.04107703872858666,
"volume": 170.41150522684842,
"volume_molar": 14.660601022850813,
"formula_full": "Ti1 V2 Te4",
"formula_reduced": "Ti(VTe2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 2.577308257142857,
"spacegroup": 12
},
{
"id": "jvasp-45185",
"created_at": "2022-09-04T14:37:59.955319Z",
"updated_at": "2022-09-04T14:37:59.955339Z",
"structure_string": "Ti1 V4 Co1 O12\n1.0\n6.685078 0.003938 -0.051766\n-0.707979 6.647485 0.051766\n-1.437021 1.291336 5.298433\nTi V Co O\n1 4 1 12\ndirect\n0.914198 0.914199 0.250000 Ti\n0.197479 0.603927 0.752083 V\n0.388977 0.800598 0.254093 V\n0.603926 0.197480 0.747917 V\n0.800598 0.388978 0.245907 V\n0.082237 0.082237 0.750000 Co\n0.816431 0.028620 0.862046 O\n0.622987 0.334690 0.437588 O\n0.635408 0.924402 0.249293 O\n0.657135 0.384513 0.938475 O\n0.334690 0.622988 0.062411 O\n0.186005 0.972556 0.129029 O\n0.384512 0.657136 0.561524 O\n0.924401 0.635408 0.250707 O\n0.087490 0.362356 0.777441 O\n0.028619 0.816432 0.637953 O\n0.362355 0.087490 0.722559 O\n0.972556 0.186005 0.370970 O\n",
"nsites": 18,
"nelements": 4,
"elements": [
"Ti",
"V",
"Co",
"O"
],
"chemical_system": "Co-O-Ti-V",
"density": 3.5575437045464544,
"density_atomic": 0.07673378151526612,
"volume": 234.57725716826448,
"volume_molar": 7.848095898677821,
"formula_full": "Ti1 V4 Co1 O12",
"formula_reduced": "TiV4CoO12",
"formula_anonymous": "ABC4D12",
"energy_above_hull": 3.6021248907407406,
"spacegroup": 5
},
{
"id": "jvasp-116887",
"created_at": "2022-09-04T14:38:34.626685Z",
"updated_at": "2022-09-04T14:38:34.626712Z",
"structure_string": "Ti1 V4 Co1 O12\n1.0\n6.484152 0.030738 1.749744\n0.251766 6.479335 1.749744\n0.010477 0.010126 5.704596\nTi V Co O\n1 4 1 12\ndirect\n0.087750 0.912251 0.499999 Ti\n0.799912 0.609753 0.007267 V\n0.610956 0.797035 0.512206 V\n0.390248 0.200088 -0.007268 V\n0.202966 0.389045 0.487793 V\n0.912594 0.087406 -0.000001 Co\n0.186897 0.027518 0.123395 O\n0.376410 0.336032 0.682973 O\n0.364964 0.914517 0.515800 O\n0.345699 0.382922 0.183861 O\n0.663969 0.623592 0.317026 O\n0.811097 0.967782 0.395504 O\n0.617079 0.654302 0.816137 O\n0.085485 0.635037 0.484198 O\n0.911859 0.372584 0.019425 O\n0.972483 0.813104 0.876604 O\n0.627417 0.088142 0.980574 O\n0.032219 0.188904 0.604495 O\n",
"nsites": 18,
"nelements": 4,
"elements": [
"Ti",
"V",
"Co",
"O"
],
"chemical_system": "Co-O-Ti-V",
"density": 3.4859586072151556,
"density_atomic": 0.07518973998702037,
"volume": 239.39436421920396,
"volume_molar": 8.009258658215298,
"formula_full": "Ti1 V4 Co1 O12",
"formula_reduced": "TiV4CoO12",
"formula_anonymous": "ABC4D12",
"energy_above_hull": 3.6004660018518515,
"spacegroup": 5
},
{
"id": "jvasp-43817",
"created_at": "2022-09-04T14:35:48.197383Z",
"updated_at": "2022-09-04T14:35:48.197400Z",
"structure_string": "Ti1 V4 Cu1 O12\n1.0\n6.708773 -0.030057 -0.048453\n-0.744306 6.667425 0.048453\n-1.441591 1.295442 5.489391\nTi V Cu O\n1 4 1 12\ndirect\n0.916721 0.916721 0.250000 Ti\n0.198545 0.615300 0.751576 V\n0.391207 0.788985 0.266679 V\n0.615301 0.198545 0.748423 V\n0.788985 0.391207 0.233321 V\n0.095179 0.095179 0.750000 Cu\n0.816745 0.030569 0.887070 O\n0.628845 0.334644 0.443070 O\n0.636888 0.906350 0.278245 O\n0.640753 0.377410 0.939655 O\n0.334644 0.628845 0.056930 O\n0.201037 0.963061 0.173225 O\n0.377410 0.640753 0.560345 O\n0.906350 0.636888 0.221755 O\n0.072122 0.385628 0.761455 O\n0.030569 0.816745 0.612930 O\n0.385629 0.072122 0.738545 O\n0.963061 0.201037 0.326775 O\n",
"nsites": 18,
"nelements": 4,
"elements": [
"Ti",
"V",
"Cu",
"O"
],
"chemical_system": "Cu-O-Ti-V",
"density": 3.4433527291996926,
"density_atomic": 0.07359525646285174,
"volume": 244.58098069249553,
"volume_molar": 8.182783849716946,
"formula_full": "Ti1 V4 Cu1 O12",
"formula_reduced": "TiV4CuO12",
"formula_anonymous": "ABC4D12",
"energy_above_hull": 3.3420765324074075,
"spacegroup": 5
}
]
}