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=energy_above_hull&page=3837",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=energy_above_hull&page=3835",
"results": [
{
"id": "jvasp-35386",
"created_at": "2022-09-04T14:37:49.414625Z",
"updated_at": "2022-09-04T14:37:49.414635Z",
"structure_string": "Mn1 Cr2 Se4\n1.0\n0.000000 3.702388 0.000000\n-0.028216 0.000000 6.393176\n5.960304 -1.851195 -3.156360\nMn Cr Se\n1 2 4\ndirect\n0.000000 0.000000 0.000000 Mn\n0.258225 0.272358 0.516448 Cr\n0.741776 0.727642 0.483551 Cr\n0.126490 0.456527 0.252980 Se\n0.873511 0.543473 0.747019 Se\n0.365365 0.027831 0.730729 Se\n0.634636 0.972169 0.269270 Se\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Mn",
"Cr",
"Se"
],
"chemical_system": "Cr-Mn-Se",
"density": 5.60120944662965,
"density_atomic": 0.04973329827746805,
"volume": 140.7507694532174,
"volume_molar": 12.10887065322262,
"formula_full": "Mn1 Cr2 Se4",
"formula_reduced": "Mn(CrSe2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 3.0922093582922825,
"spacegroup": 12
},
{
"id": "jvasp-20784",
"created_at": "2022-09-04T14:38:00.153565Z",
"updated_at": "2022-09-04T14:38:00.153589Z",
"structure_string": "Ti12 O4\n1.0\n2.570166 -4.451658 0.000000\n2.570166 4.451658 0.000000\n-0.000000 0.000000 9.493845\nTi O\n12 4\ndirect\n0.671379 0.666377 0.617024 Ti\n0.333624 0.005001 0.617024 Ti\n0.666377 0.671379 0.117024 Ti\n0.005001 0.333624 0.117024 Ti\n0.328623 0.995000 0.117024 Ti\n0.005002 0.671378 0.382976 Ti\n0.328623 0.333624 0.382976 Ti\n0.666378 0.995000 0.382976 Ti\n0.995000 0.328623 0.617024 Ti\n0.671378 0.005002 0.882977 Ti\n0.995000 0.666378 0.882977 Ti\n0.333624 0.328623 0.882977 Ti\n0.333334 0.666668 0.250000 O\n0.666668 0.333334 0.750000 O\n0.000000 0.000000 0.250000 O\n0.000000 0.000000 0.750000 O\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Ti",
"O"
],
"chemical_system": "O-Ti",
"density": 4.8796420520958455,
"density_atomic": 0.07364866580858587,
"volume": 217.24765580389834,
"volume_molar": 8.176849768944416,
"formula_full": "Ti12 O4",
"formula_reduced": "Ti3O",
"formula_anonymous": "AB3",
"energy_above_hull": 3.092232125,
"spacegroup": 163
},
{
"id": "jvasp-104716",
"created_at": "2022-09-04T14:37:00.082548Z",
"updated_at": "2022-09-04T14:37:00.082572Z",
"structure_string": "Mn1 Al1 Fe1 Co1\n1.0\n3.470272 -0.000000 2.003562\n1.156757 3.271804 2.003562\n-0.000000 -0.000000 4.007125\nMn Al Fe Co\n1 1 1 1\ndirect\n0.500000 0.499999 0.499999 Mn\n0.000000 0.000000 0.000000 Al\n0.750000 0.749999 0.749998 Fe\n0.250000 0.250000 0.249999 Co\n",
"nsites": 4,
"nelements": 4,
"elements": [
"Mn",
"Al",
"Fe",
"Co"
],
"chemical_system": "Al-Co-Fe-Mn",
"density": 7.17901510886371,
"density_atomic": 0.0879176975487905,
"volume": 45.497096847653154,
"volume_molar": 6.849748034697989,
"formula_full": "Mn1 Al1 Fe1 Co1",
"formula_reduced": "MnAlFeCo",
"formula_anonymous": "ABCD",
"energy_above_hull": 3.092356610344828,
"spacegroup": 216
},
{
"id": "jvasp-76981",
"created_at": "2022-09-04T14:38:12.656861Z",
"updated_at": "2022-09-04T14:38:12.656878Z",
"structure_string": "Sc2 Ir1 Pt1\n1.0\n-8.852727 -0.000000 -5.111123\n-5.857137 0.263456 -0.077390\n-5.027482 2.610074 -1.514393\nSc Ir Pt\n2 1 1\ndirect\n0.753874 0.000001 -0.000000 Sc\n0.246125 0.000000 -0.000000 Sc\n0.000000 0.000000 0.000000 Ir\n0.500000 0.000001 -0.000000 Pt\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sc",
"Ir",
"Pt"
],
"chemical_system": "Ir-Pt-Sc",
"density": 10.838784070833258,
"density_atomic": 0.054711592045867175,
"volume": 73.11064895802376,
"volume_molar": 11.00706547700416,
"formula_full": "Sc2 Ir1 Pt1",
"formula_reduced": "Sc2IrPt",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.09251325,
"spacegroup": 71
},
{
"id": "jvasp-120458",
"created_at": "2022-09-04T14:38:50.894479Z",
"updated_at": "2022-09-04T14:38:50.894505Z",
"structure_string": "Sc12 Si12 Pt4\n1.0\n4.038989 -0.000000 0.000000\n0.000000 10.253170 0.000000\n-0.000000 0.000000 11.718808\nSc Si Pt\n12 12 4\ndirect\n0.250000 0.875689 0.020393 Sc\n0.750000 0.157762 0.698938 Sc\n0.750000 0.342238 0.198938 Sc\n0.250000 0.842238 0.301063 Sc\n0.750000 0.420154 0.900398 Sc\n0.750000 0.079846 0.400398 Sc\n0.250000 0.657762 0.801063 Sc\n0.250000 0.920154 0.599602 Sc\n0.750000 0.375689 0.479607 Sc\n0.750000 0.124311 0.979607 Sc\n0.250000 0.624311 0.520393 Sc\n0.250000 0.579846 0.099602 Sc\n0.750000 0.747809 0.655705 Si\n0.750000 0.686268 0.957164 Si\n0.750000 0.813732 0.457164 Si\n0.250000 0.313732 0.042836 Si\n0.250000 0.186268 0.542836 Si\n0.750000 0.752191 0.155705 Si\n0.250000 0.482420 0.324535 Si\n0.250000 0.247809 0.844295 Si\n0.750000 0.517580 0.675465 Si\n0.750000 0.982420 0.175465 Si\n0.250000 0.017580 0.824535 Si\n0.250000 0.252191 0.344295 Si\n0.750000 0.613501 0.322970 Pt\n0.250000 0.386499 0.677030 Pt\n0.250000 0.113501 0.177030 Pt\n0.750000 0.886499 0.822970 Pt\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Sc",
"Si",
"Pt"
],
"chemical_system": "Pt-Sc-Si",
"density": 5.669092606914862,
"density_atomic": 0.05769574212541807,
"volume": 485.30444307543615,
"volume_molar": 10.437755955906013,
"formula_full": "Sc12 Si12 Pt4",
"formula_reduced": "Sc3Si3Pt",
"formula_anonymous": "AB3C3",
"energy_above_hull": 3.0927247071428567,
"spacegroup": 62
},
{
"id": "jvasp-120587",
"created_at": "2022-09-04T14:38:46.903561Z",
"updated_at": "2022-09-04T14:38:46.903586Z",
"structure_string": "Li3 Fe5 Co2 O12\n1.0\n4.932034 0.014927 0.447827\n-2.605264 4.187813 0.447827\n-0.012315 -0.022245 9.514218\nLi Fe Co O\n3 5 2 12\ndirect\n0.673024 0.841862 0.744135 Li\n0.158139 0.326977 0.255866 Li\n0.076750 0.923250 0.500000 Li\n0.923478 0.076522 0.000000 Fe\n-0.005582 0.518292 0.736367 Fe\n0.481708 0.005583 0.263633 Fe\n0.582504 0.417496 0.000000 Fe\n0.423013 0.576988 0.500000 Fe\n0.746754 0.253246 0.500000 Co\n0.249440 0.750560 0.000000 Co\n0.035611 0.229886 0.614744 O\n0.394430 0.860254 0.613098 O\n0.222403 0.046717 0.113192 O\n0.537423 0.714630 0.107919 O\n0.770114 0.964389 0.385256 O\n0.874850 0.362313 0.107207 O\n0.953283 0.777598 0.886809 O\n0.705571 0.536125 0.614880 O\n0.637687 0.125151 0.892794 O\n0.285370 0.462578 0.892082 O\n0.463876 0.294429 0.385121 O\n0.139746 0.605570 0.386902 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Li",
"Fe",
"Co",
"O"
],
"chemical_system": "Co-Fe-Li-O",
"density": 5.141539011467409,
"density_atomic": 0.11168708743003007,
"volume": 196.97890334710894,
"volume_molar": 5.391975830485115,
"formula_full": "Li3 Fe5 Co2 O12",
"formula_reduced": "Li3Fe5(CoO6)2",
"formula_anonymous": "A2B3C5D12",
"energy_above_hull": 3.092765513636364,
"spacegroup": 5
},
{
"id": "jvasp-46956",
"created_at": "2022-09-04T14:38:07.287694Z",
"updated_at": "2022-09-04T14:38:07.287732Z",
"structure_string": "Li3 V3 Cr1 O8\n1.0\n-4.014529 -0.002060 0.002403\n2.004414 6.064385 0.025395\n-0.002894 -1.870128 -6.164327\nLi V Cr O\n3 3 1 8\ndirect\n0.057917 0.120826 0.359861 Li\n0.174407 0.353821 0.005194 Li\n0.936984 0.878979 0.640543 Li\n0.605953 0.216893 0.701261 V\n0.291019 0.587047 0.700750 V\n0.392680 0.790350 0.287186 V\n0.713550 0.432104 0.311014 Cr\n0.651245 0.307510 0.000728 O\n0.561200 0.127391 0.363945 O\n0.118056 0.241108 0.687807 O\n0.767530 0.540064 0.644556 O\n0.228398 0.461803 0.335006 O\n0.881715 0.768423 0.322419 O\n0.439770 0.884539 0.637150 O\n0.342659 0.690309 0.994918 O\n",
"nsites": 15,
"nelements": 4,
"elements": [
"Li",
"V",
"Cr",
"O"
],
"chemical_system": "Cr-Li-O-V",
"density": 3.9188063189473574,
"density_atomic": 0.1001004553461072,
"volume": 149.8494681980818,
"volume_molar": 6.0160972686666145,
"formula_full": "Li3 V3 Cr1 O8",
"formula_reduced": "Li3V3CrO8",
"formula_anonymous": "AB3C3D8",
"energy_above_hull": 3.0929605333333337,
"spacegroup": 8
},
{
"id": "jvasp-19973",
"created_at": "2022-09-04T14:38:17.258815Z",
"updated_at": "2022-09-04T14:38:17.258839Z",
"structure_string": "Nd2 Ru4\n1.0\n4.693027 0.000000 2.709520\n1.564342 4.424628 2.709520\n-0.000000 -0.000000 5.419041\nNd Ru\n2 4\ndirect\n0.125000 0.125000 0.125000 Nd\n0.875000 0.875000 0.874999 Nd\n0.500000 -0.000000 0.500000 Ru\n-0.000000 0.500000 0.500000 Ru\n0.500000 0.500000 0.500000 Ru\n0.500000 0.500000 -0.000000 Ru\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Nd",
"Ru"
],
"chemical_system": "Nd-Ru",
"density": 10.223089328361043,
"density_atomic": 0.053321087376410656,
"volume": 112.52583724791799,
"volume_molar": 11.294107184063554,
"formula_full": "Nd2 Ru4",
"formula_reduced": "NdRu2",
"formula_anonymous": "AB2",
"energy_above_hull": 3.093040833333333,
"spacegroup": 227
},
{
"id": "jvasp-30278",
"created_at": "2022-09-04T14:38:29.009520Z",
"updated_at": "2022-09-04T14:38:29.009545Z",
"structure_string": "Fe2 Co4 O12\n1.0\n4.901161 -0.000523 -0.000000\n2.437699 4.236543 -0.000000\n-0.000000 -0.000000 8.761835\nFe Co O\n2 4 12\ndirect\n0.000000 0.000000 0.000000 Fe\n0.000000 0.500000 0.500000 Fe\n0.333351 0.333326 0.000000 Co\n0.333351 0.833325 0.500000 Co\n0.666649 0.166675 0.500000 Co\n0.666649 0.666674 0.000000 Co\n0.668334 0.331416 0.893331 O\n0.668334 0.000251 0.106670 O\n0.331666 0.668584 0.106670 O\n0.331666 0.499749 0.606670 O\n0.331666 0.168585 0.393330 O\n0.000000 0.668311 0.893369 O\n0.331666 -0.000250 0.893331 O\n0.668334 0.500251 0.393330 O\n0.000000 0.331688 0.106632 O\n0.000000 0.168312 0.606632 O\n0.000000 0.831688 0.393369 O\n0.668334 0.831415 0.606670 O\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Fe",
"Co",
"O"
],
"chemical_system": "Co-Fe-O",
"density": 4.923118169647161,
"density_atomic": 0.0989327729294617,
"volume": 181.9417314102159,
"volume_molar": 6.087103981502409,
"formula_full": "Fe2 Co4 O12",
"formula_reduced": "Fe(CoO3)2",
"formula_anonymous": "AB2C6",
"energy_above_hull": 3.093369811111111,
"spacegroup": 64
},
{
"id": "jvasp-117212",
"created_at": "2022-09-04T14:38:43.805656Z",
"updated_at": "2022-09-04T14:38:43.805688Z",
"structure_string": "K2 Lu2 Ta4 O14\n1.0\n6.470355 0.000217 -3.750179\n-2.081582 6.045362 -3.879427\n0.011242 -0.000217 7.478584\nK Lu Ta O\n2 2 4 14\ndirect\n-0.000000 -0.000000 0.500000 K\n0.000000 0.500000 -0.000000 K\n0.000000 0.000000 0.000000 Lu\n0.499999 -0.000000 0.499999 Lu\n0.500000 0.500000 0.499999 Ta\n0.500000 0.000000 -0.000000 Ta\n0.500000 0.500000 -0.000000 Ta\n-0.000000 0.500000 0.499999 Ta\n0.182939 0.821497 0.763756 O\n0.557741 0.419182 0.736242 O\n0.190917 0.440917 0.749999 O\n0.565676 0.815676 0.749999 O\n0.817060 0.580817 0.638558 O\n0.442258 0.178502 0.861440 O\n0.434323 0.184324 0.250000 O\n0.442258 0.580817 0.263756 O\n0.809082 0.559083 0.249999 O\n0.557741 0.821498 0.138558 O\n0.834830 0.084831 0.749999 O\n0.165169 0.915169 0.249999 O\n0.817060 0.178502 0.236243 O\n0.182939 0.419182 0.361441 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"K",
"Lu",
"Ta",
"O"
],
"chemical_system": "K-Lu-O-Ta",
"density": 7.803651719181216,
"density_atomic": 0.07514156922903888,
"volume": 292.7806835247457,
"volume_molar": 8.014393127250145,
"formula_full": "K2 Lu2 Ta4 O14",
"formula_reduced": "KLuTa2O7",
"formula_anonymous": "ABC2D7",
"energy_above_hull": 3.09340515,
"spacegroup": 74
},
{
"id": "jvasp-44464",
"created_at": "2022-09-04T14:38:06.515095Z",
"updated_at": "2022-09-04T14:38:06.515126Z",
"structure_string": "Y1 Th4 O10\n1.0\n5.586268 -2.793135 -2.793229\n-0.000000 -0.000000 5.586458\n-2.793135 -5.586268 -2.793229\nY Th O\n1 4 10\ndirect\n0.000000 0.000000 0.000000 Y\n0.399175 0.601169 0.803162 Th\n0.196839 0.798007 0.399176 Th\n0.803161 0.201993 0.600825 Th\n0.600825 0.398832 0.196839 Th\n0.099923 0.149654 0.701449 O\n0.099923 0.651717 0.701449 O\n0.298552 0.448205 0.099924 O\n0.701448 0.049731 0.900078 O\n0.500000 0.750000 0.500001 O\n0.701448 0.551795 0.900078 O\n0.298552 0.950269 0.099924 O\n0.500000 0.250000 0.500001 O\n0.900077 0.348283 0.298552 O\n0.900077 0.850347 0.298552 O\n",
"nsites": 15,
"nelements": 3,
"elements": [
"Y",
"Th",
"O"
],
"chemical_system": "O-Th-Y",
"density": 8.969219097467539,
"density_atomic": 0.06883369953180545,
"volume": 217.9165162126593,
"volume_molar": 8.74882623040971,
"formula_full": "Y1 Th4 O10",
"formula_reduced": "YTh4O10",
"formula_anonymous": "AB4C10",
"energy_above_hull": 3.0936768566666677,
"spacegroup": 87
},
{
"id": "jvasp-23839",
"created_at": "2022-09-04T14:37:36.763356Z",
"updated_at": "2022-09-04T14:37:36.763383Z",
"structure_string": "Th6 Co6 Sb8\n1.0\n7.858438 0.000000 -2.778377\n-3.929218 6.805606 -2.778377\n-0.000000 -0.000000 8.335132\nTh Co Sb\n6 6 8\ndirect\n0.875000 0.125000 0.750000 Th\n0.250000 0.625000 0.375000 Th\n0.375000 0.250000 0.625000 Th\n0.125000 0.750000 0.875000 Th\n0.625000 0.375000 0.250000 Th\n0.750000 0.875001 0.125000 Th\n0.250000 0.125000 0.875000 Co\n0.750000 0.375000 0.625000 Co\n0.625000 0.750000 0.375000 Co\n0.875000 0.250000 0.125000 Co\n0.125000 0.875001 0.250000 Co\n0.375000 0.625000 0.750000 Co\n0.000000 0.839868 0.500000 Sb\n0.839868 0.500000 -0.000000 Sb\n0.160132 0.160132 0.160132 Sb\n0.000000 0.339868 0.500000 Sb\n0.339868 0.500000 -0.000000 Sb\n0.500000 -0.000000 0.839868 Sb\n0.500000 -0.000000 0.339868 Sb\n0.660132 0.660132 0.660132 Sb\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Th",
"Co",
"Sb"
],
"chemical_system": "Co-Sb-Th",
"density": 10.131825960526157,
"density_atomic": 0.04486570329190295,
"volume": 445.7748019657024,
"volume_molar": 13.422593023492924,
"formula_full": "Th6 Co6 Sb8",
"formula_reduced": "Th3Co3Sb4",
"formula_anonymous": "A3B3C4",
"energy_above_hull": 3.09373639,
"spacegroup": 220
}
]
}