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=-chemical_system&page=297",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-chemical_system&page=295",
"results": [
{
"id": "jvasp-107090",
"created_at": "2022-09-04T14:37:01.548216Z",
"updated_at": "2022-09-04T14:37:01.548243Z",
"structure_string": "U1 V2 O6\n1.0\n4.939758 -0.000000 0.000000\n-2.469879 4.277956 0.000000\n-0.000000 -0.000000 4.870232\nU V O\n1 2 6\ndirect\n0.000000 0.000000 0.000000 U\n0.666667 0.333334 0.500000 V\n0.333334 0.666667 0.500000 V\n0.344745 0.344745 0.728175 O\n0.655255 0.000000 0.728175 O\n0.000000 0.655256 0.728175 O\n0.344745 0.000000 0.271825 O\n0.000000 0.344745 0.271825 O\n0.655255 0.655256 0.271825 O\n",
"nsites": 9,
"nelements": 3,
"elements": [
"U",
"V",
"O"
],
"chemical_system": "O-U-V",
"density": 7.033194199098202,
"density_atomic": 0.08744819966065709,
"volume": 102.91807075416666,
"volume_molar": 6.886523431435901,
"formula_full": "U1 V2 O6",
"formula_reduced": "UV2O6",
"formula_anonymous": "AB2C6",
"energy_above_hull": 3.513519488888889,
"spacegroup": 162
},
{
"id": "jvasp-1257",
"created_at": "2022-09-04T14:36:58.699803Z",
"updated_at": "2022-09-04T14:36:58.699824Z",
"structure_string": "U1 O3\n1.0\n4.166207 0.000000 0.000000\n0.000000 4.166207 0.000000\n0.000000 0.000000 4.166207\nU O\n1 3\ndirect\n0.000000 0.000000 0.000000 U\n0.000000 0.500000 0.000000 O\n0.500000 0.000000 0.000000 O\n0.000000 0.000000 0.500000 O\n",
"nsites": 4,
"nelements": 2,
"elements": [
"U",
"O"
],
"chemical_system": "O-U",
"density": 6.568009354754626,
"density_atomic": 0.055314304802783154,
"volume": 72.31402463181168,
"volume_molar": 10.887130881371927,
"formula_full": "U1 O3",
"formula_reduced": "UO3",
"formula_anonymous": "AB3",
"energy_above_hull": 2.4884416250000005,
"spacegroup": 221
},
{
"id": "jvasp-7998",
"created_at": "2022-09-04T14:37:00.341924Z",
"updated_at": "2022-09-04T14:37:00.341954Z",
"structure_string": "U1 O3\n1.0\n3.913763 0.000000 0.000000\n-1.956882 3.392522 0.000000\n0.000000 0.000000 4.144507\nU O\n1 3\ndirect\n0.941499 -0.000000 0.000000 U\n0.274882 0.666761 0.000000 O\n0.941497 1.000000 0.500000 O\n0.608120 0.333239 0.000000 O\n",
"nsites": 4,
"nelements": 2,
"elements": [
"U",
"O"
],
"chemical_system": "O-U",
"density": 8.63110146628533,
"density_atomic": 0.07268920482645862,
"volume": 55.028803926934884,
"volume_molar": 8.284780077561065,
"formula_full": "U1 O3",
"formula_reduced": "UO3",
"formula_anonymous": "AB3",
"energy_above_hull": 2.5177166250000003,
"spacegroup": 191
},
{
"id": "jvasp-52219",
"created_at": "2022-09-04T14:35:43.837210Z",
"updated_at": "2022-09-04T14:35:43.837232Z",
"structure_string": "U3 O5\n1.0\n-3.828672 -0.000184 0.001477\n1.913858 3.315793 -0.003052\n-0.003313 -0.006481 -9.411072\nU O\n3 5\ndirect\n0.004179 0.998276 0.000119 U\n0.670809 0.331602 0.658706 U\n0.337476 0.664922 0.329372 U\n0.670819 0.331594 0.414560 O\n0.004117 -0.001749 0.761634 O\n0.337442 0.664921 0.580867 O\n0.004138 0.998262 0.243163 O\n0.337566 0.664961 0.057356 O\n",
"nsites": 8,
"nelements": 2,
"elements": [
"U",
"O"
],
"chemical_system": "O-U",
"density": 11.037037195084226,
"density_atomic": 0.06696179667111148,
"volume": 119.47110737324861,
"volume_molar": 8.993397816934714,
"formula_full": "U3 O5",
"formula_reduced": "U3O5",
"formula_anonymous": "A3B5",
"energy_above_hull": 3.9581894375,
"spacegroup": 156
},
{
"id": "jvasp-14929",
"created_at": "2022-09-04T14:35:47.357647Z",
"updated_at": "2022-09-04T14:35:47.357675Z",
"structure_string": "U1 O1\n1.0\n2.977354 -0.000000 1.718976\n0.992452 2.807077 1.718976\n0.000000 0.000000 3.437953\nU O\n1 1\ndirect\n0.000000 0.000000 0.000000 U\n0.499999 0.500001 0.500001 O\n",
"nsites": 2,
"nelements": 2,
"elements": [
"U",
"O"
],
"chemical_system": "O-U",
"density": 14.68069044171674,
"density_atomic": 0.06960577293495919,
"volume": 28.733248919868096,
"volume_molar": 8.651783474378183,
"formula_full": "U1 O1",
"formula_reduced": "UO",
"formula_anonymous": "AB",
"energy_above_hull": 1.55613475,
"spacegroup": 225
},
{
"id": "jvasp-57874",
"created_at": "2022-09-04T14:37:57.269921Z",
"updated_at": "2022-09-04T14:37:57.269943Z",
"structure_string": "U3 O8\n1.0\n4.162867 0.000000 0.000000\n0.000000 6.097631 -3.424054\n0.000000 -0.205561 6.775357\nU O\n3 8\ndirect\n0.000000 0.681666 0.363331 U\n0.000000 0.318334 0.636670 U\n0.000000 0.000000 0.000000 U\n0.000002 0.332717 0.295171 O\n0.000002 0.667283 0.704830 O\n0.999999 0.037546 0.704829 O\n0.000000 0.500000 0.000000 O\n0.500000 0.000000 0.000000 O\n0.500000 0.314128 0.628256 O\n0.500000 0.685872 0.371746 O\n0.999999 0.962454 0.295172 O\n",
"nsites": 11,
"nelements": 2,
"elements": [
"U",
"O"
],
"chemical_system": "O-U",
"density": 8.271424832088828,
"density_atomic": 0.06506831598439995,
"volume": 169.0530918709689,
"volume_molar": 9.255104683274423,
"formula_full": "U3 O8",
"formula_reduced": "U3O8",
"formula_anonymous": "A3B8",
"energy_above_hull": 3.7824014545454543,
"spacegroup": 65
},
{
"id": "jvasp-12393",
"created_at": "2022-09-04T14:38:13.408847Z",
"updated_at": "2022-09-04T14:38:13.408865Z",
"structure_string": "U4 O12\n1.0\n5.205781 0.000000 0.000000\n0.000000 5.518071 0.000000\n0.000000 0.000000 7.425292\nU O\n4 12\ndirect\n0.284276 0.375275 0.192231 U\n0.784276 0.124725 0.807769 U\n0.715724 0.875274 0.307769 U\n0.215724 0.624725 0.692231 U\n0.915527 0.865061 0.571178 O\n0.415527 0.634939 0.428822 O\n0.084473 0.365061 0.928822 O\n0.584473 0.134939 0.071178 O\n0.926821 0.597934 0.253004 O\n0.426821 0.902066 0.746995 O\n0.073179 0.097934 0.246995 O\n0.573179 0.402066 0.753004 O\n0.037561 0.354596 0.591397 O\n0.537561 0.145404 0.408603 O\n0.962439 0.854596 0.908603 O\n0.462439 0.645404 0.091397 O\n",
"nsites": 16,
"nelements": 2,
"elements": [
"U",
"O"
],
"chemical_system": "O-U",
"density": 8.906961430331396,
"density_atomic": 0.07501243570357101,
"volume": 213.29796652954585,
"volume_molar": 8.028189864141837,
"formula_full": "U4 O12",
"formula_reduced": "UO3",
"formula_anonymous": "AB3",
"energy_above_hull": 2.4908716250000005,
"spacegroup": 19
},
{
"id": "jvasp-41466",
"created_at": "2022-09-04T14:37:49.715567Z",
"updated_at": "2022-09-04T14:37:49.715596Z",
"structure_string": "U2 O4\n1.0\n5.128479 -0.000000 0.000000\n-0.000000 5.128479 0.000000\n0.000000 0.000000 3.600064\nU O\n2 4\ndirect\n0.000000 0.000000 0.000000 U\n0.500000 0.500000 0.499999 U\n0.308173 0.308173 0.000000 O\n0.691827 0.691827 0.000000 O\n0.191827 0.808174 0.499999 O\n0.808174 0.191827 0.499999 O\n",
"nsites": 6,
"nelements": 2,
"elements": [
"U",
"O"
],
"chemical_system": "O-U",
"density": 9.471091709833876,
"density_atomic": 0.06336710493215587,
"volume": 94.6863519553862,
"volume_molar": 9.503575658770616,
"formula_full": "U2 O4",
"formula_reduced": "UO2",
"formula_anonymous": "AB2",
"energy_above_hull": 2.065644333333333,
"spacegroup": 136
},
{
"id": "jvasp-8160",
"created_at": "2022-09-04T14:36:44.368218Z",
"updated_at": "2022-09-04T14:36:44.368243Z",
"structure_string": "U1 O3\n1.0\n1.900329 -3.291465 -0.000000\n1.900329 3.291465 0.000000\n-0.000000 0.000000 4.150577\nU O\n1 3\ndirect\n0.000000 0.000000 0.000000 U\n0.333333 0.666668 0.116279 O\n0.000000 0.000000 0.500000 O\n0.666668 0.333333 0.883722 O\n",
"nsites": 4,
"nelements": 2,
"elements": [
"U",
"O"
],
"chemical_system": "O-U",
"density": 9.14744458840864,
"density_atomic": 0.07703773103847959,
"volume": 51.92260916929185,
"volume_molar": 7.817131526098555,
"formula_full": "U1 O3",
"formula_reduced": "UO3",
"formula_anonymous": "AB3",
"energy_above_hull": 2.493919125000001,
"spacegroup": 164
},
{
"id": "jvasp-1222",
"created_at": "2022-09-04T14:35:58.196565Z",
"updated_at": "2022-09-04T14:35:58.196584Z",
"structure_string": "U5 O10\n1.0\n3.321518 0.000915 1.914723\n1.106751 3.130364 1.916949\n0.012862 -0.004552 19.169494\nU O\n5 10\ndirect\n0.682746 0.783363 0.150105 U\n0.682838 0.783310 0.350108 U\n0.682822 0.783324 0.550106 U\n0.682804 0.783326 0.750109 U\n0.682788 0.783344 0.950105 U\n0.932774 0.033359 0.000102 O\n0.432748 0.533362 0.100105 O\n0.932836 0.033315 0.400108 O\n0.932738 0.033355 0.200110 O\n0.432840 0.533313 0.300107 O\n0.432843 0.533321 0.500103 O\n0.932787 0.033326 0.800112 O\n0.932806 0.033332 0.600106 O\n0.432811 0.533319 0.700110 O\n0.432817 0.533340 0.900101 O\n",
"nsites": 15,
"nelements": 2,
"elements": [
"U",
"O"
],
"chemical_system": "O-U",
"density": 11.252615005669076,
"density_atomic": 0.0752865305997434,
"volume": 199.23882639441382,
"volume_molar": 7.998961716029089,
"formula_full": "U5 O10",
"formula_reduced": "UO2",
"formula_anonymous": "AB2",
"energy_above_hull": 2.0081176666666667,
"spacegroup": 225
},
{
"id": "jvasp-100635",
"created_at": "2022-09-04T14:37:10.420515Z",
"updated_at": "2022-09-04T14:37:10.420548Z",
"structure_string": "U3 O7\n1.0\n4.999670 -0.005174 -4.229633\n-0.537277 3.575381 -5.460266\n0.036042 0.005174 6.548680\nU O\n3 7\ndirect\n0.000000 0.000000 0.000000 U\n0.654415 0.654416 0.000000 U\n0.345584 0.345585 0.000000 U\n0.784023 0.500000 0.284023 O\n0.407907 0.176228 0.231680 O\n0.055451 0.823771 0.231678 O\n0.215976 0.499999 0.715976 O\n0.944548 0.176228 0.768321 O\n0.592092 0.823771 0.768320 O\n0.500000 0.000000 0.500000 O\n",
"nsites": 10,
"nelements": 2,
"elements": [
"U",
"O"
],
"chemical_system": "O-U",
"density": 11.650282132595432,
"density_atomic": 0.08493054431310676,
"volume": 117.74326987866446,
"volume_molar": 7.090665447519855,
"formula_full": "U3 O7",
"formula_reduced": "U3O7",
"formula_anonymous": "A3B7",
"energy_above_hull": 3.83135925,
"spacegroup": 71
},
{
"id": "jvasp-97632",
"created_at": "2022-09-04T14:37:52.260047Z",
"updated_at": "2022-09-04T14:37:52.260069Z",
"structure_string": "U12 O32\n1.0\n6.978941 0.000000 -0.058116\n0.000000 8.320537 0.000000\n0.096910 0.000000 11.630198\nU O\n12 32\ndirect\n0.498727 0.250000 0.180958 U\n0.503960 0.250000 0.499999 U\n0.001272 0.750000 0.319041 U\n0.496040 0.750000 0.500001 U\n0.501275 0.750000 0.180963 U\n-0.001272 0.250000 0.680959 U\n0.498725 0.250000 0.819036 U\n-0.001275 0.250000 0.319039 U\n0.501273 0.750000 0.819042 U\n0.001275 0.750000 0.680961 U\n0.003965 0.250000 -0.000001 U\n0.996035 0.750000 0.000001 U\n0.308931 0.250000 0.358179 O\n0.808928 0.250000 0.858185 O\n0.320454 0.750000 0.346944 O\n-0.000014 -0.000014 0.315300 O\n0.500010 0.499988 0.184701 O\n0.975845 0.250000 0.499988 O\n0.320458 0.750000 0.653054 O\n0.179548 0.250000 0.153054 O\n0.000000 0.000000 0.000000 O\n0.820458 0.750000 0.153059 O\n0.500010 0.000013 0.184701 O\n-0.000014 0.500014 0.315300 O\n0.500000 0.000000 0.500000 O\n0.679542 0.250000 0.346946 O\n0.475844 0.250000 -0.000010 O\n0.308938 0.250000 0.641818 O\n0.000014 0.499986 0.684700 O\n0.691062 0.750000 0.358182 O\n0.499989 -0.000013 0.815299 O\n0.191055 0.750000 0.858180 O\n0.808945 0.250000 0.141820 O\n0.191072 0.750000 0.141815 O\n0.499989 0.500013 0.815299 O\n0.179542 0.250000 0.846941 O\n0.820452 0.750000 0.846946 O\n0.024155 0.750000 0.500012 O\n0.679546 0.250000 0.653056 O\n0.500000 0.500000 0.500000 O\n0.524156 0.750000 0.000009 O\n0.000014 0.000014 0.684700 O\n0.691069 0.750000 0.641820 O\n0.000000 0.500000 0.000000 O\n",
"nsites": 44,
"nelements": 2,
"elements": [
"U",
"O"
],
"chemical_system": "O-U",
"density": 8.281429543757223,
"density_atomic": 0.06514701944279885,
"volume": 675.3954421296801,
"volume_molar": 9.243923684471289,
"formula_full": "U12 O32",
"formula_reduced": "U3O8",
"formula_anonymous": "A3B8",
"energy_above_hull": 3.7801014545454543,
"spacegroup": 63
}
]
}