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=1117",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_reduced&page=1115",
"results": [
{
"id": "jvasp-119393",
"created_at": "2022-09-04T14:38:51.087073Z",
"updated_at": "2022-09-04T14:38:51.087102Z",
"structure_string": "Cr4 O12\n1.0\n5.034092 0.000000 0.000000\n0.000000 5.634492 0.000000\n-0.000000 0.000000 7.898025\nCr O\n4 12\ndirect\n0.559946 0.263458 0.311288 Cr\n0.059946 0.236542 0.811288 Cr\n0.940054 0.763458 0.311288 Cr\n0.440054 0.736542 0.811288 Cr\n0.877038 0.198556 0.649266 O\n0.316552 0.030316 0.811294 O\n0.377003 0.301444 0.473299 O\n0.877003 0.198556 0.973298 O\n0.816552 0.469684 0.311294 O\n0.377038 0.301444 0.149267 O\n0.622962 0.698556 0.649266 O\n0.183447 0.530316 0.811294 O\n0.122997 0.801444 0.473299 O\n0.622997 0.698556 0.973298 O\n0.683447 0.969684 0.311294 O\n0.122962 0.801444 0.149267 O\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Cr",
"O"
],
"chemical_system": "Cr-O",
"density": 2.9647625382939475,
"density_atomic": 0.07142094032060259,
"volume": 224.0239337115606,
"volume_molar": 8.431897890124544,
"formula_full": "Cr4 O12",
"formula_reduced": "CrO3",
"formula_anonymous": "AB3",
"energy_above_hull": 2.5750819750000007,
"spacegroup": 62
},
{
"id": "jvasp-44224",
"created_at": "2022-09-04T14:38:08.066788Z",
"updated_at": "2022-09-04T14:38:08.066810Z",
"structure_string": "Cr4 O12\n1.0\n5.101324 0.000000 0.000000\n0.000000 5.654633 0.000000\n0.000000 0.000000 7.940245\nCr O\n4 12\ndirect\n0.561032 0.262295 0.311287 Cr\n0.061032 0.237705 0.811288 Cr\n0.938967 0.762295 0.311287 Cr\n0.438967 0.737705 0.811288 Cr\n0.879894 0.202454 0.649961 O\n0.311101 0.028451 0.811287 O\n0.379895 0.297546 0.472614 O\n0.879894 0.202453 0.972614 O\n0.811101 0.471548 0.311287 O\n0.379895 0.297546 0.149960 O\n0.620105 0.702453 0.649961 O\n0.188899 0.528451 0.811287 O\n0.120105 0.797546 0.472614 O\n0.620105 0.702453 0.972614 O\n0.688898 0.971548 0.311287 O\n0.120105 0.797546 0.149960 O\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Cr",
"O"
],
"chemical_system": "Cr-O",
"density": 2.899766973568378,
"density_atomic": 0.0698552013147259,
"volume": 229.0452206688738,
"volume_molar": 8.620890995457621,
"formula_full": "Cr4 O12",
"formula_reduced": "CrO3",
"formula_anonymous": "AB3",
"energy_above_hull": 2.5788144750000006,
"spacegroup": 62
},
{
"id": "jvasp-16932",
"created_at": "2022-09-04T14:35:50.232722Z",
"updated_at": "2022-09-04T14:35:50.232750Z",
"structure_string": "Cr1 O3\n1.0\n3.607127 0.000000 0.000000\n0.000000 3.607127 0.000000\n0.000000 -0.000000 3.607127\nCr O\n1 3\ndirect\n0.500000 0.500000 0.500000 Cr\n0.500000 0.000000 0.500000 O\n0.500000 0.500000 0.000000 O\n0.000000 0.500000 0.500000 O\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Cr",
"O"
],
"chemical_system": "Cr-O",
"density": 3.5378551053920737,
"density_atomic": 0.08522670368418366,
"volume": 46.93364669860297,
"volume_molar": 7.066025669977409,
"formula_full": "Cr1 O3",
"formula_reduced": "CrO3",
"formula_anonymous": "AB3",
"energy_above_hull": 2.6492419750000007,
"spacegroup": 221
},
{
"id": "jvasp-88031",
"created_at": "2022-09-04T14:35:59.421087Z",
"updated_at": "2022-09-04T14:35:59.421106Z",
"structure_string": "Cr2 O6\n1.0\n4.774903 0.000000 0.000000\n-2.387451 4.205092 0.000000\n0.000000 0.000000 5.760675\nCr O\n2 6\ndirect\n0.563683 0.795857 0.250000 Cr\n0.767825 0.204142 0.749999 Cr\n0.878945 0.763864 0.250000 O\n0.115081 0.236135 0.749999 O\n0.553068 0.000000 0.000000 O\n0.553068 0.000000 0.500000 O\n0.810260 0.552194 0.749999 O\n0.258066 0.447806 0.250000 O\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Cr",
"O"
],
"chemical_system": "Cr-O",
"density": 2.8710510052577956,
"density_atomic": 0.06916343547092967,
"volume": 115.66805416082185,
"volume_molar": 8.707116294897162,
"formula_full": "Cr2 O6",
"formula_reduced": "CrO3",
"formula_anonymous": "AB3",
"energy_above_hull": 2.5733944750000006,
"spacegroup": 40
},
{
"id": "jvasp-57226",
"created_at": "2022-09-04T14:37:12.132959Z",
"updated_at": "2022-09-04T14:37:12.132984Z",
"structure_string": "Cr2 O6\n1.0\n0.000000 4.772452 0.000579\n5.760360 0.000000 0.000000\n0.000000 -2.384584 -4.207474\nCr O\n2 6\ndirect\n0.405071 0.500000 0.796016 Cr\n0.609033 0.000000 0.203987 Cr\n0.293441 0.000000 0.235710 O\n0.914387 0.000000 0.551966 O\n0.362519 0.500000 0.448001 O\n0.057810 0.500000 0.764387 O\n0.619869 0.249994 -0.000036 O\n0.619869 0.750006 -0.000036 O\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Cr",
"O"
],
"chemical_system": "Cr-O",
"density": 2.8712536760477234,
"density_atomic": 0.0691683177973235,
"volume": 115.6598895962967,
"volume_molar": 8.706501692936978,
"formula_full": "Cr2 O6",
"formula_reduced": "CrO3",
"formula_anonymous": "AB3",
"energy_above_hull": 2.5732694750000005,
"spacegroup": 40
},
{
"id": "jvasp-30607",
"created_at": "2022-09-04T14:37:07.941196Z",
"updated_at": "2022-09-04T14:37:07.941229Z",
"structure_string": "Cr6 O18\n1.0\n5.601689 0.000000 -0.000000\n-2.800845 4.851205 -0.000000\n-0.000000 0.000000 10.541658\nCr O\n6 18\ndirect\n0.658272 -0.000000 0.501220 Cr\n0.658272 0.658271 0.001220 Cr\n0.000000 0.341728 0.001220 Cr\n0.000000 0.658271 0.501220 Cr\n0.341729 0.341728 0.501220 Cr\n0.341728 -0.000000 0.001220 Cr\n0.000000 0.215865 0.153598 O\n0.000000 0.784134 0.653598 O\n0.215866 0.215865 0.653598 O\n0.215866 -0.000000 0.153598 O\n0.609805 -0.000000 0.349282 O\n0.609805 0.609804 0.849282 O\n0.000000 0.390195 0.849282 O\n0.000000 0.609804 0.349282 O\n0.000000 0.000000 0.448913 O\n0.390195 -0.000000 0.849282 O\n0.784135 0.784134 0.153598 O\n0.000000 0.000000 0.948913 O\n0.333333 0.666666 0.035859 O\n0.666667 0.333333 0.535859 O\n0.333333 0.666666 0.535859 O\n0.666667 0.333333 0.035859 O\n0.390196 0.390195 0.349282 O\n0.784135 -0.000000 0.653598 O\n",
"nsites": 24,
"nelements": 2,
"elements": [
"Cr",
"O"
],
"chemical_system": "Cr-O",
"density": 3.4777475163629936,
"density_atomic": 0.08377871570085885,
"volume": 286.46894141579645,
"volume_molar": 7.188151202392166,
"formula_full": "Cr6 O18",
"formula_reduced": "CrO3",
"formula_anonymous": "AB3",
"energy_above_hull": 2.7634094750000004,
"spacegroup": 185
},
{
"id": "jvasp-122529",
"created_at": "2022-09-04T14:38:53.511252Z",
"updated_at": "2022-09-04T14:38:53.511268Z",
"structure_string": "Cr4 O12\n1.0\n4.981675 -0.000000 0.000000\n0.000000 5.638322 0.000000\n0.000000 -0.000000 7.947155\nCr O\n4 12\ndirect\n0.941696 0.234974 0.250000 Cr\n0.441696 0.265026 0.750000 Cr\n0.558303 0.734974 0.250000 Cr\n0.058303 0.765026 0.750000 Cr\n0.126481 0.196832 0.088978 O\n0.126481 0.196832 0.411022 O\n0.817400 0.528760 0.250000 O\n0.317401 -0.028760 0.750000 O\n0.626481 0.303168 0.588978 O\n0.626481 0.303168 0.911023 O\n0.373519 0.696831 0.088978 O\n0.373519 0.696831 0.411022 O\n0.682598 0.028760 0.250000 O\n0.182599 0.471240 0.750000 O\n0.873518 0.803168 0.911023 O\n0.873518 0.803168 0.588978 O\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Cr",
"O"
],
"chemical_system": "Cr-O",
"density": 2.9754138771433705,
"density_atomic": 0.07167753039366015,
"volume": 223.2219764286856,
"volume_molar": 8.401713517368417,
"formula_full": "Cr4 O12",
"formula_reduced": "CrO3",
"formula_anonymous": "AB3",
"energy_above_hull": 2.5751594750000004,
"spacegroup": 62
},
{
"id": "jvasp-30544",
"created_at": "2022-09-04T14:37:29.581913Z",
"updated_at": "2022-09-04T14:37:29.581937Z",
"structure_string": "Cr2 O6\n1.0\n3.281480 -0.000000 0.000000\n-1.640742 2.841847 0.000000\n-0.000000 0.000000 10.064074\nCr O\n2 6\ndirect\n0.666665 0.333332 0.750000 Cr\n0.333335 0.666669 0.250000 Cr\n0.333335 0.666669 0.416426 O\n0.666665 0.333332 0.916426 O\n0.666665 0.333332 0.583575 O\n0.333335 0.666669 0.083574 O\n0.000000 0.000000 0.250000 O\n0.000000 0.000000 0.750000 O\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Cr",
"O"
],
"chemical_system": "Cr-O",
"density": 3.538425547373043,
"density_atomic": 0.08524044559509658,
"volume": 93.85216072193077,
"volume_molar": 7.06488653122013,
"formula_full": "Cr2 O6",
"formula_reduced": "CrO3",
"formula_anonymous": "AB3",
"energy_above_hull": 2.7726469750000007,
"spacegroup": 194
},
{
"id": "jvasp-113211",
"created_at": "2022-09-04T14:38:46.328286Z",
"updated_at": "2022-09-04T14:38:46.328303Z",
"structure_string": "Cr4 O4 F4\n1.0\n4.508060 0.000001 -0.000006\n-0.000006 5.530308 -0.135886\n0.000003 0.005901 5.064837\nCr O F\n4 4 4\ndirect\n0.979595 0.149516 0.273761 Cr\n0.479594 0.350485 0.726238 Cr\n0.520404 0.649515 0.273760 Cr\n0.020404 0.850485 0.726239 Cr\n0.771379 0.888071 0.426801 O\n0.728620 0.388070 0.426802 O\n0.271379 0.611930 0.573197 O\n0.228620 0.111930 0.573198 O\n0.243621 0.887330 0.080036 F\n0.256378 0.387330 0.080037 F\n0.743621 0.612670 0.919963 F\n0.756378 0.112670 0.919963 F\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Cr",
"O",
"F"
],
"chemical_system": "Cr-F-O",
"density": 4.575947078532703,
"density_atomic": 0.09503078864068427,
"volume": 126.27486493216998,
"volume_molar": 6.3370417589292956,
"formula_full": "Cr4 O4 F4",
"formula_reduced": "CrOF",
"formula_anonymous": "ABC",
"energy_above_hull": 1.2990403941666668,
"spacegroup": 14
},
{
"id": "jvasp-47275",
"created_at": "2022-09-04T14:38:07.571434Z",
"updated_at": "2022-09-04T14:38:07.571466Z",
"structure_string": "Cr4 O4 F4\n1.0\n3.013436 0.000000 0.000000\n0.000000 4.750060 0.000000\n0.000000 0.000000 9.576261\nCr O F\n4 4 4\ndirect\n0.249997 0.162415 0.380153 Cr\n0.749998 0.337585 0.619847 Cr\n0.750004 0.662414 0.119847 Cr\n0.250004 0.837585 0.880153 Cr\n0.750009 0.034631 0.486459 O\n0.250009 0.465369 0.513541 O\n0.249992 0.534631 0.013541 O\n0.749993 0.965369 0.986459 O\n0.749980 0.331746 0.257129 F\n0.249980 0.168254 0.742871 F\n0.250021 0.831746 0.242871 F\n0.750022 0.668254 0.757129 F\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Cr",
"O",
"F"
],
"chemical_system": "Cr-F-O",
"density": 4.215420118398183,
"density_atomic": 0.08754356014791115,
"volume": 137.0746172502596,
"volume_molar": 6.8790219975348945,
"formula_full": "Cr4 O4 F4",
"formula_reduced": "CrOF",
"formula_anonymous": "ABC",
"energy_above_hull": 1.320940394166667,
"spacegroup": 62
},
{
"id": "jvasp-45926",
"created_at": "2022-09-04T14:38:09.216452Z",
"updated_at": "2022-09-04T14:38:09.216474Z",
"structure_string": "Cr4 O4 F4\n1.0\n0.000000 5.070669 -0.004055\n4.513224 0.000000 0.000000\n0.000000 -0.134663 -5.535599\nCr O F\n4 4 4\ndirect\n0.273721 0.479723 0.649431 Cr\n0.273721 0.020276 0.149431 Cr\n0.726280 0.979723 0.850568 Cr\n0.726280 0.520276 0.350568 Cr\n0.426320 0.227830 0.887540 O\n0.426320 0.272169 0.387540 O\n0.573681 0.727830 0.612459 O\n0.573681 0.772169 0.112459 O\n0.080154 0.756503 0.887289 F\n0.080153 0.743496 0.387289 F\n0.919848 0.256503 0.612710 F\n0.919847 0.243497 0.112710 F\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Cr",
"O",
"F"
],
"chemical_system": "Cr-F-O",
"density": 4.561132452841666,
"density_atomic": 0.09472312652425803,
"volume": 126.68500756176867,
"volume_molar": 6.357624564321962,
"formula_full": "Cr4 O4 F4",
"formula_reduced": "CrOF",
"formula_anonymous": "ABC",
"energy_above_hull": 1.3030303941666672,
"spacegroup": 14
},
{
"id": "jvasp-30256",
"created_at": "2022-09-04T14:38:06.987945Z",
"updated_at": "2022-09-04T14:38:06.987973Z",
"structure_string": "Cr2 O2 F2\n1.0\n3.865640 -0.000000 0.000000\n0.000000 2.794117 0.000000\n0.000000 0.000000 5.711944\nCr O F\n2 2 2\ndirect\n0.250000 0.250000 0.117464 Cr\n0.750000 0.750001 0.882535 Cr\n0.250000 0.750001 0.874918 O\n0.750000 0.250000 0.125081 O\n0.250000 0.750001 0.353609 F\n0.750000 0.250000 0.646390 F\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Cr",
"O",
"F"
],
"chemical_system": "Cr-F-O",
"density": 4.682933331153521,
"density_atomic": 0.09725262114568954,
"volume": 61.69499525376992,
"volume_molar": 6.192265760095573,
"formula_full": "Cr2 O2 F2",
"formula_reduced": "CrOF",
"formula_anonymous": "ABC",
"energy_above_hull": 1.4215937275000006,
"spacegroup": 59
}
]
}