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=3483",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=energy_above_hull&page=3481",
"results": [
{
"id": "jvasp-41578",
"created_at": "2022-09-04T14:37:40.576580Z",
"updated_at": "2022-09-04T14:37:40.576597Z",
"structure_string": "Pm2 Si6\n1.0\n0.000000 6.149177 0.002803\n4.745368 0.000000 0.000000\n0.000000 -3.072005 -5.327068\nPm Si\n2 6\ndirect\n0.666671 0.250000 0.333393 Pm\n0.333331 0.750000 0.666608 Pm\n0.274989 0.750000 0.137454 Si\n0.862537 0.750000 0.725050 Si\n0.862477 0.750000 0.137497 Si\n0.725013 0.250000 0.862547 Si\n0.137465 0.250000 0.274950 Si\n0.137525 0.250000 0.862504 Si\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Pm",
"Si"
],
"chemical_system": "Pm-Si",
"density": 4.8993650146798355,
"density_atomic": 0.05147887325021121,
"volume": 155.40355673901968,
"volume_molar": 11.698276166087789,
"formula_full": "Pm2 Si6",
"formula_reduced": "PmSi3",
"formula_anonymous": "AB3",
"energy_above_hull": 2.6876442437499994,
"spacegroup": 194
},
{
"id": "jvasp-54714",
"created_at": "2022-09-04T14:36:53.274856Z",
"updated_at": "2022-09-04T14:36:53.274885Z",
"structure_string": "H14 Br2 O6\n1.0\n6.246246 0.000000 -0.111750\n-0.099008 3.084081 5.642435\n-0.099008 -3.084081 5.642435\nH Br O\n14 2 6\ndirect\n0.454727 0.025551 0.810390 H\n0.253797 0.293745 0.037570 H\n0.367280 0.510009 0.065967 H\n0.796204 0.185318 0.344101 H\n0.744377 0.049674 0.189855 H\n0.296203 0.844102 0.685318 H\n0.035600 0.744958 0.678421 H\n0.535601 0.178421 0.244958 H\n0.753797 0.537570 0.793746 H\n0.867281 0.565967 0.010010 H\n0.104363 0.311710 0.325126 H\n0.954727 0.310390 0.525551 H\n0.604363 0.825126 0.811710 H\n0.244375 0.689856 0.549675 H\n0.498451 0.453131 0.576672 Br\n-0.001549 0.076672 0.953131 Br\n0.676717 0.080340 0.312653 O\n0.455882 0.855933 0.841216 O\n0.955883 0.341215 0.355932 O\n0.829766 0.652939 0.831767 O\n0.176716 0.812653 0.580340 O\n0.329766 0.331766 0.152938 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"H",
"Br",
"O"
],
"chemical_system": "Br-H-O",
"density": 2.0623955241834047,
"density_atomic": 0.10123195394211731,
"volume": 217.32268461971228,
"volume_molar": 5.948853623277248,
"formula_full": "H14 Br2 O6",
"formula_reduced": "H7BrO3",
"formula_anonymous": "AB3C7",
"energy_above_hull": 2.687644964090909,
"spacegroup": 9
},
{
"id": "jvasp-36376",
"created_at": "2022-09-04T14:37:18.894068Z",
"updated_at": "2022-09-04T14:37:18.894090Z",
"structure_string": "Ca1 N2\n1.0\n3.585597 0.000000 0.000000\n0.000000 3.585597 0.000000\n-1.792799 -1.792799 2.987402\nCa N\n1 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.605118 0.605118 0.210235 N\n0.394882 0.394882 0.789764 N\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Ca",
"N"
],
"chemical_system": "Ca-N",
"density": 2.9439114454183826,
"density_atomic": 0.07810963990494187,
"volume": 38.40755127857394,
"volume_molar": 7.709856001549675,
"formula_full": "Ca1 N2",
"formula_reduced": "CaN2",
"formula_anonymous": "AB2",
"energy_above_hull": 2.687755639999999,
"spacegroup": 139
},
{
"id": "jvasp-10040",
"created_at": "2022-09-04T14:38:08.516875Z",
"updated_at": "2022-09-04T14:38:08.516900Z",
"structure_string": "Zn2 Cr1 W1 O6\n1.0\n5.203279 0.017974 0.009529\n2.585946 4.515298 0.002246\n2.587857 1.513598 4.596635\nZn Cr W O\n2 1 1 6\ndirect\n0.768775 0.752142 0.741606 Zn\n0.235689 0.218958 0.341026 Zn\n0.518413 0.501746 0.492745 Cr\n0.014563 0.997905 0.004269 W\n0.136034 0.770789 0.732985 O\n0.902242 0.247552 0.238228 O\n0.643305 0.885552 0.238174 O\n0.787406 0.374834 0.733047 O\n0.264261 0.626625 0.238173 O\n0.391491 0.119397 0.732997 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Zn",
"Cr",
"W",
"O"
],
"chemical_system": "Cr-O-W-Zn",
"density": 7.133916103238951,
"density_atomic": 0.09285939809550021,
"volume": 107.68969221312001,
"volume_molar": 6.4852248490848465,
"formula_full": "Zn2 Cr1 W1 O6",
"formula_reduced": "Zn2CrWO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.68777392,
"spacegroup": 146
},
{
"id": "jvasp-116900",
"created_at": "2022-09-04T14:38:47.219976Z",
"updated_at": "2022-09-04T14:38:47.219999Z",
"structure_string": "Li4 Fe4 B4 O16\n1.0\n4.301908 -0.000000 0.000000\n0.000000 5.715000 0.000000\n-0.000000 -0.000000 9.847243\nLi Fe B O\n4 4 4 16\ndirect\n0.478670 0.250000 0.725024 Li\n0.978670 0.750000 0.774975 Li\n0.021331 0.250000 0.225024 Li\n0.521331 0.750000 0.274976 Li\n-0.000000 0.500000 0.500000 Fe\n0.000000 0.000000 0.500000 Fe\n0.500000 0.500000 -0.000000 Fe\n0.500000 0.000000 -0.000000 Fe\n0.586341 0.250000 0.415131 B\n0.086341 0.750000 0.084869 B\n0.913660 0.250000 0.915131 B\n0.413659 0.750000 0.584868 B\n0.720814 0.462095 0.357222 O\n0.720814 0.037905 0.357222 O\n0.220814 0.962095 0.142778 O\n0.220814 0.537905 0.142778 O\n0.746640 0.750000 0.079344 O\n0.752414 0.250000 0.059469 O\n0.247587 0.750000 0.940531 O\n0.753361 0.750000 0.579344 O\n0.779187 0.462095 0.857222 O\n0.779187 0.037905 0.857222 O\n0.279187 0.537905 0.642777 O\n0.279187 0.962095 0.642777 O\n0.246640 0.250000 0.420656 O\n0.747587 0.250000 0.559468 O\n0.253360 0.250000 0.920656 O\n0.252414 0.750000 0.440531 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Li",
"Fe",
"B",
"O"
],
"chemical_system": "B-Fe-Li-O",
"density": 3.775013165488036,
"density_atomic": 0.11565542879513346,
"volume": 242.0984496075655,
"volume_molar": 5.2069676475518785,
"formula_full": "Li4 Fe4 B4 O16",
"formula_reduced": "LiFeBO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.6878688690476187,
"spacegroup": 62
},
{
"id": "jvasp-43558",
"created_at": "2022-09-04T14:36:22.238192Z",
"updated_at": "2022-09-04T14:36:22.238207Z",
"structure_string": "Mn6 O8 F4\n1.0\n0.000000 4.508370 0.027274\n4.525682 0.000000 0.000000\n0.000000 -4.529861 -8.860467\nMn O F\n6 8 4\ndirect\n0.000000 0.000000 0.000000 Mn\n0.305744 0.018839 0.341824 Mn\n0.694257 0.981161 0.658177 Mn\n0.305744 0.481161 0.841824 Mn\n0.694257 0.518839 0.158177 Mn\n0.000000 0.500000 0.500000 Mn\n0.295797 0.802749 0.501204 O\n0.977047 0.819539 0.167564 O\n0.022954 0.319540 0.332437 O\n0.704205 0.302749 0.998797 O\n0.295796 0.697250 0.001203 O\n0.022954 0.180460 0.832437 O\n0.704204 0.197250 0.498797 O\n0.977047 0.680460 0.667564 O\n0.371775 0.294282 0.666652 F\n0.371775 0.205718 0.166652 F\n0.628226 0.705717 0.333349 F\n0.628226 0.794282 0.833349 F\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Mn",
"O",
"F"
],
"chemical_system": "F-Mn-O",
"density": 4.916589038013373,
"density_atomic": 0.09987518387070421,
"volume": 180.2249498063736,
"volume_molar": 6.029666756655092,
"formula_full": "Mn6 O8 F4",
"formula_reduced": "Mn3(O2F)2",
"formula_anonymous": "A2B3C4",
"energy_above_hull": 2.6879895876819924,
"spacegroup": 14
},
{
"id": "jvasp-48902",
"created_at": "2022-09-04T14:36:05.849184Z",
"updated_at": "2022-09-04T14:36:05.849207Z",
"structure_string": "Li2 Co3 O6\n1.0\n4.240848 -2.448454 -0.002021\n4.236182 2.440372 -0.001011\n-1.415295 0.817122 4.695285\nLi Co O\n2 3 6\ndirect\n0.334094 0.331813 0.000000 Li\n0.665906 0.668188 0.000000 Li\n0.500000 0.000000 0.500001 Co\n0.164205 0.671590 0.500001 Co\n0.835794 0.328410 0.500001 Co\n0.244775 -0.000000 0.714152 O\n0.096532 0.339476 0.290588 O\n0.755224 0.000001 0.285849 O\n0.563992 0.339476 0.709413 O\n0.436008 0.660523 0.290588 O\n0.903468 0.660523 0.709414 O\n",
"nsites": 11,
"nelements": 3,
"elements": [
"Li",
"Co",
"O"
],
"chemical_system": "Co-Li-O",
"density": 4.893571770752664,
"density_atomic": 0.11307724182622894,
"volume": 97.27863734865599,
"volume_molar": 5.32568770049636,
"formula_full": "Li2 Co3 O6",
"formula_reduced": "Li2(CoO2)3",
"formula_anonymous": "A2B3C6",
"energy_above_hull": 2.6880867,
"spacegroup": 12
},
{
"id": "jvasp-62517",
"created_at": "2022-09-04T14:35:58.049716Z",
"updated_at": "2022-09-04T14:35:58.049743Z",
"structure_string": "Dy10 Si6 B2\n1.0\n4.274543 -7.403725 -0.000000\n4.274543 7.403725 0.000000\n-0.000000 0.000000 6.325229\nDy Si B\n10 6 2\ndirect\n0.333333 0.666667 0.500000 Dy\n0.760406 -0.000000 0.250000 Dy\n0.239593 0.239593 0.250000 Dy\n0.239594 -0.000000 0.750000 Dy\n-0.000000 0.239594 0.750000 Dy\n-0.000000 0.760406 0.250000 Dy\n0.333333 0.666667 0.000000 Dy\n0.666667 0.333333 0.500000 Dy\n0.666667 0.333333 0.000000 Dy\n0.760406 0.760406 0.750000 Dy\n0.399008 0.399008 0.750000 Si\n-0.000000 0.600992 0.750000 Si\n0.600992 -0.000000 0.750000 Si\n0.600991 0.600991 0.250000 Si\n-0.000000 0.399008 0.250000 Si\n0.399008 -0.000000 0.250000 Si\n0.000000 0.000000 0.000000 B\n0.000000 0.000000 0.500000 B\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Dy",
"Si",
"B"
],
"chemical_system": "B-Dy-Si",
"density": 7.5285581639670065,
"density_atomic": 0.04495999834616367,
"volume": 400.3558866130585,
"volume_molar": 13.394441684880212,
"formula_full": "Dy10 Si6 B2",
"formula_reduced": "Dy5Si3B",
"formula_anonymous": "AB3C5",
"energy_above_hull": 2.688135653703704,
"spacegroup": 193
},
{
"id": "jvasp-47638",
"created_at": "2022-09-04T14:36:55.509593Z",
"updated_at": "2022-09-04T14:36:55.509616Z",
"structure_string": "Li3 Cr1 Co2 O6\n1.0\n2.821266 0.004722 -0.002137\n-0.009592 5.765965 0.026837\n-1.403437 -1.514530 6.077420\nLi Cr Co O\n3 1 2 6\ndirect\n0.001622 0.495364 0.007761 Li\n0.331454 0.165199 0.667307 Li\n0.661312 0.835049 0.326854 Li\n0.331472 0.665190 0.667291 Cr\n0.998132 0.000154 0.000621 Co\n0.664790 0.330229 0.333961 Co\n0.492532 0.764608 0.989421 O\n0.826438 0.420759 0.657222 O\n0.156238 0.097688 0.316841 O\n0.836503 0.909628 0.677357 O\n0.170392 0.565776 0.345161 O\n0.506678 0.232693 0.017738 O\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Li",
"Cr",
"Co",
"O"
],
"chemical_system": "Co-Cr-Li-O",
"density": 4.810455657328568,
"density_atomic": 0.12126015116552544,
"volume": 98.9607870735661,
"volume_molar": 4.96629824564503,
"formula_full": "Li3 Cr1 Co2 O6",
"formula_reduced": "Li3Cr(CoO3)2",
"formula_anonymous": "AB2C3D6",
"energy_above_hull": 2.688220016666667,
"spacegroup": 12
},
{
"id": "jvasp-10351",
"created_at": "2022-09-04T14:37:27.685268Z",
"updated_at": "2022-09-04T14:37:27.685298Z",
"structure_string": "Fe4 Cu3 O12\n1.0\n6.140783 -0.001605 0.000712\n-2.045605 5.790398 -0.004668\n-2.048105 -2.890601 5.015766\nFe Cu O\n4 3 12\ndirect\n0.500000 0.500001 0.500000 Fe\n0.500000 0.000000 -0.000000 Fe\n-0.000000 0.000000 0.500000 Fe\n0.000000 0.500000 -0.000000 Fe\n0.500000 0.500000 -0.000000 Cu\n0.000000 0.500000 0.500000 Cu\n0.500000 0.000001 0.500000 Cu\n0.689931 0.873954 0.184019 O\n0.815967 0.689920 0.505885 O\n0.126043 0.815980 0.310058 O\n0.689921 0.505894 0.815970 O\n0.505890 0.815970 0.689924 O\n0.184033 0.310081 0.494115 O\n0.310069 0.126047 0.815981 O\n0.494110 0.184031 0.310077 O\n0.815982 0.310074 0.126048 O\n0.184018 0.689927 0.873952 O\n0.873957 0.184021 0.689942 O\n0.310079 0.494107 0.184030 O\n",
"nsites": 19,
"nelements": 3,
"elements": [
"Fe",
"Cu",
"O"
],
"chemical_system": "Cu-Fe-O",
"density": 5.645093946054753,
"density_atomic": 0.10658480951295923,
"volume": 178.26180003342657,
"volume_molar": 5.65009290490667,
"formula_full": "Fe4 Cu3 O12",
"formula_reduced": "Fe4(CuO4)3",
"formula_anonymous": "A3B4C12",
"energy_above_hull": 2.6883150184210525,
"spacegroup": 204
},
{
"id": "jvasp-40556",
"created_at": "2022-09-04T14:37:55.502882Z",
"updated_at": "2022-09-04T14:37:55.502895Z",
"structure_string": "Be1 Fe1 Rh2\n1.0\n0.000000 2.903812 2.903812\n2.903812 -0.000000 2.903812\n2.903812 2.903812 -0.000000\nBe Fe Rh\n1 1 2\ndirect\n0.250001 0.250001 0.250001 Be\n0.750001 0.750001 0.750001 Fe\n0.000000 0.000000 0.000000 Rh\n0.500000 0.500000 0.500000 Rh\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Fe",
"Rh"
],
"chemical_system": "Be-Fe-Rh",
"density": 9.17805848525255,
"density_atomic": 0.08168165125637693,
"volume": 48.970606476172556,
"volume_molar": 7.372697132551968,
"formula_full": "Be1 Fe1 Rh2",
"formula_reduced": "BeFeRh2",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.6883294,
"spacegroup": 225
},
{
"id": "jvasp-9411",
"created_at": "2022-09-04T14:37:14.688135Z",
"updated_at": "2022-09-04T14:37:14.688157Z",
"structure_string": "Er2 Ta2 O8\n1.0\n0.000000 5.109629 -0.002579\n5.435859 0.000000 0.000000\n0.000000 -0.584939 -5.265913\nEr Ta O\n2 2 8\ndirect\n-0.000000 0.765495 0.250000 Er\n-0.000000 0.234506 0.750000 Er\n0.500000 0.698025 0.750000 Ta\n0.500000 0.301976 0.250000 Ta\n0.265188 0.562337 0.992085 O\n0.734812 0.562337 0.507914 O\n0.734812 0.437664 0.007915 O\n0.265188 0.437664 0.492085 O\n0.751060 0.078907 0.404452 O\n0.248940 0.078907 0.095548 O\n0.248940 0.921094 0.595547 O\n0.751060 0.921094 0.904452 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Er",
"Ta",
"O"
],
"chemical_system": "Er-O-Ta",
"density": 9.359145983387105,
"density_atomic": 0.0820400028522106,
"volume": 146.27010705517858,
"volume_molar": 7.340493113887955,
"formula_full": "Er2 Ta2 O8",
"formula_reduced": "ErTaO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.688485533333333,
"spacegroup": 13
}
]
}