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=-spacegroup&page=4106",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-spacegroup&page=4104",
"results": [
{
"id": "jvasp-117620",
"created_at": "2022-09-04T14:38:52.154606Z",
"updated_at": "2022-09-04T14:38:52.154629Z",
"structure_string": "Ba1 Se2\n1.0\n5.105974 -0.616452 -0.820855\n0.763709 -4.391448 -0.533618\n1.488982 -3.942298 -4.941100\nBa Se\n1 2\ndirect\n0.196017 0.004107 0.063358 Ba\n0.899850 0.004138 0.622769 Se\n0.492191 0.004076 0.503947 Se\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Ba",
"Se"
],
"chemical_system": "Ba-Se",
"density": 5.143475805542901,
"density_atomic": 0.0314733785345876,
"volume": 95.31865149790502,
"volume_molar": 19.13407787912563,
"formula_full": "Ba1 Se2",
"formula_reduced": "BaSe2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.744631122222222,
"spacegroup": 12
},
{
"id": "jvasp-111937",
"created_at": "2022-09-04T14:38:52.223710Z",
"updated_at": "2022-09-04T14:38:52.223737Z",
"structure_string": "Li3 V4 Fe1 O8\n1.0\n5.040969 0.022145 2.941358\n1.700584 4.745512 2.941358\n0.026464 0.018715 5.888509\nLi V Fe O\n3 4 1 8\ndirect\n-0.000000 0.500000 0.000000 Li\n0.500000 -0.000001 0.000000 Li\n-0.000001 0.000000 0.500000 Li\n0.499999 0.500000 0.500001 V\n0.000000 0.000000 0.000000 V\n0.500000 -0.000000 0.500000 V\n-0.000001 0.500000 0.500000 V\n0.500000 0.499999 0.000001 Fe\n0.745384 0.745385 0.742850 O\n0.254212 0.746404 0.243255 O\n0.746404 0.254211 0.243255 O\n0.254615 0.254615 0.257151 O\n0.247870 0.247872 0.751764 O\n0.745787 0.253595 0.756746 O\n0.253594 0.745788 0.756746 O\n0.752128 0.752128 0.248237 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Li",
"V",
"Fe",
"O"
],
"chemical_system": "Fe-Li-O-V",
"density": 4.841212535176237,
"density_atomic": 0.11421108322708724,
"volume": 140.09148278706903,
"volume_molar": 5.272816428880293,
"formula_full": "Li3 V4 Fe1 O8",
"formula_reduced": "Li3V4FeO8",
"formula_anonymous": "AB3C4D8",
"energy_above_hull": 3.15800689375,
"spacegroup": 12
},
{
"id": "jvasp-117485",
"created_at": "2022-09-04T14:38:51.906766Z",
"updated_at": "2022-09-04T14:38:51.906791Z",
"structure_string": "B2 H1\n1.0\n3.215280 -0.643735 -0.430055\n-0.556911 -3.648300 -0.973284\n0.894558 0.665919 -1.355736\nB H\n2 1\ndirect\n0.656509 0.328233 0.539430 B\n0.080414 0.556091 0.729651 B\n0.868405 0.942187 0.134604 H\n",
"nsites": 3,
"nelements": 2,
"elements": [
"B",
"H"
],
"chemical_system": "B-H",
"density": 2.1123549563200776,
"density_atomic": 0.16863808149432868,
"volume": 17.789576194276677,
"volume_molar": 3.5710443967559753,
"formula_full": "B2 H1",
"formula_reduced": "B2H",
"formula_anonymous": "AB2",
"energy_above_hull": 3.5604183888888894,
"spacegroup": 12
},
{
"id": "jvasp-117234",
"created_at": "2022-09-04T14:38:51.895379Z",
"updated_at": "2022-09-04T14:38:51.895401Z",
"structure_string": "Mg8 Fe3 N8\n1.0\n8.143857 0.029550 2.230913\n1.134504 4.175904 0.000000\n-0.005692 0.001546 6.586352\nMg Fe N\n8 3 8\ndirect\n0.061750 0.969125 0.756477 Mg\n0.938250 0.030875 0.243523 Mg\n0.674792 0.662603 0.463934 Mg\n0.325208 0.337397 0.536065 Mg\n0.822673 0.588664 0.965652 Mg\n0.177327 0.411336 0.034347 Mg\n0.622003 0.189000 0.792102 Mg\n0.377997 0.811000 0.207897 Mg\n0.616290 0.191855 0.207719 Fe\n0.383710 0.808145 0.792281 Fe\n-0.000000 0.500000 0.500000 Fe\n0.201776 0.899111 0.014542 N\n0.798225 0.100889 0.985457 N\n0.347645 0.826177 0.544479 N\n0.652355 0.173823 0.455520 N\n0.591438 0.704280 0.813938 N\n0.408562 0.295719 0.186061 N\n0.067503 0.466248 0.744830 N\n0.932498 0.533751 0.255170 N\n",
"nsites": 19,
"nelements": 3,
"elements": [
"Mg",
"Fe",
"N"
],
"chemical_system": "Fe-Mg-N",
"density": 3.5167856291006943,
"density_atomic": 0.08488791260309177,
"volume": 223.82456367890458,
"volume_molar": 7.094226463262878,
"formula_full": "Mg8 Fe3 N8",
"formula_reduced": "Mg8Fe3N8",
"formula_anonymous": "A3B8C8",
"energy_above_hull": 2.9351492052631576,
"spacegroup": 12
},
{
"id": "jvasp-123558",
"created_at": "2022-09-04T14:38:51.891173Z",
"updated_at": "2022-09-04T14:38:51.891202Z",
"structure_string": "P3 Br1\n1.0\n3.162510 -0.000000 -1.012675\n-0.054678 4.469621 -0.170757\n0.136144 -0.405804 5.869645\nP Br\n3 1\ndirect\n0.654113 0.236137 0.308225 P\n0.095894 0.513974 0.191788 P\n0.874991 0.374946 0.749984 P\n0.374999 0.874945 0.750001 Br\n",
"nsites": 4,
"nelements": 2,
"elements": [
"P",
"Br"
],
"chemical_system": "Br-P",
"density": 3.4433840836103267,
"density_atomic": 0.04799423540236144,
"volume": 83.34334251740553,
"volume_molar": 12.547633501217723,
"formula_full": "P3 Br1",
"formula_reduced": "P3Br",
"formula_anonymous": "AB3",
"energy_above_hull": 2.26866265125,
"spacegroup": 12
},
{
"id": "jvasp-119663",
"created_at": "2022-09-04T14:38:51.886806Z",
"updated_at": "2022-09-04T14:38:51.886831Z",
"structure_string": "Ca1 Mn2 Cu3 Ru2 O12\n1.0\n5.190365 -0.038025 3.656188\n0.048927 5.190273 3.656188\n0.012428 0.012221 7.339726\nCa Mn Cu Ru O\n1 2 3 2 12\ndirect\n0.000000 0.000000 0.000000 Ca\n0.000001 0.500000 0.500000 Mn\n0.500000 -0.000001 0.500001 Mn\n0.500000 0.499999 0.000001 Cu\n0.000000 -0.000000 0.500000 Cu\n0.500000 0.499999 0.500001 Cu\n0.000000 0.500000 0.000000 Ru\n0.500000 -0.000000 0.000001 Ru\n0.871061 0.519361 0.310590 O\n0.519362 0.871060 0.310590 O\n0.175989 0.175988 0.519592 O\n0.822439 0.822437 0.870949 O\n0.177561 0.177561 0.129053 O\n0.702966 0.310820 0.817138 O\n0.310821 0.702965 0.817138 O\n0.297034 0.689179 0.182864 O\n0.128939 0.480637 0.689412 O\n0.689179 0.297033 0.182864 O\n0.824011 0.824010 0.480410 O\n0.480638 0.128938 0.689412 O\n",
"nsites": 20,
"nelements": 5,
"elements": [
"Ca",
"Mn",
"Cu",
"Ru",
"O"
],
"chemical_system": "Ca-Cu-Mn-O-Ru",
"density": 6.184483617286725,
"density_atomic": 0.10138170461078377,
"volume": 197.2742525565371,
"volume_molar": 5.940066586096282,
"formula_full": "Ca1 Mn2 Cu3 Ru2 O12",
"formula_reduced": "CaMn2Cu3(RuO6)2",
"formula_anonymous": "AB2C2D3E12",
"energy_above_hull": 2.750664462637931,
"spacegroup": 12
},
{
"id": "jvasp-111281",
"created_at": "2022-09-04T14:38:51.740821Z",
"updated_at": "2022-09-04T14:38:51.740846Z",
"structure_string": "Mg2 Pb4\n1.0\n7.133738 0.133482 1.720461\n6.210334 3.512803 1.720461\n0.196320 0.053645 7.097246\nMg Pb\n2 4\ndirect\n0.338194 0.338193 0.066917 Mg\n0.661809 0.661804 0.933084 Mg\n0.011027 0.011025 0.750172 Pb\n0.321868 0.321865 0.623266 Pb\n0.678135 0.678132 0.376734 Pb\n0.988976 0.988972 0.249829 Pb\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Mg",
"Pb"
],
"chemical_system": "Mg-Pb",
"density": 8.533146700219753,
"density_atomic": 0.03514056865470743,
"volume": 170.74282601844692,
"volume_molar": 17.137288867387962,
"formula_full": "Mg2 Pb4",
"formula_reduced": "MgPb2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.1846071586666667,
"spacegroup": 12
},
{
"id": "jvasp-123692",
"created_at": "2022-09-04T14:38:52.871000Z",
"updated_at": "2022-09-04T14:38:52.871016Z",
"structure_string": "Pb1 Se2\n1.0\n2.397684 -3.996667 -0.897470\n2.262376 3.918547 -0.000001\n-1.161625 0.670664 5.756253\nPb Se\n1 2\ndirect\n0.000000 0.333365 0.166667 Pb\n0.811598 0.739117 0.444196 Se\n0.188403 -0.072481 0.889137 Se\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Pb",
"Se"
],
"chemical_system": "Pb-Se",
"density": 6.021804947402711,
"density_atomic": 0.029796360403474727,
"volume": 100.68343782182714,
"volume_molar": 20.210994492125028,
"formula_full": "Pb1 Se2",
"formula_reduced": "PbSe2",
"formula_anonymous": "AB2",
"energy_above_hull": null,
"spacegroup": 12
},
{
"id": "jvasp-117209",
"created_at": "2022-09-04T14:38:51.541356Z",
"updated_at": "2022-09-04T14:38:51.541374Z",
"structure_string": "Li5 Co4 Ni1 O10\n1.0\n2.817185 -0.000000 -0.338887\n-1.514340 4.621297 -0.709640\n0.075769 0.280809 12.509038\nLi Co Ni O\n5 4 1 10\ndirect\n0.403752 0.505858 0.301645 Li\n0.000000 0.500001 0.500000 Li\n0.596250 0.494143 0.698355 Li\n0.195979 0.496946 0.895011 Li\n0.804023 0.503055 0.104989 Li\n0.606043 0.009017 0.203067 Co\n0.201899 0.002697 0.401098 Co\n0.798104 0.997304 0.598901 Co\n0.393959 0.990984 0.796933 Co\n0.000000 0.000000 0.000000 Ni\n0.197080 0.237104 0.157055 O\n0.786598 0.223044 0.350149 O\n0.383160 0.218740 0.547579 O\n0.978282 0.211521 0.745041 O\n0.577001 0.212933 0.941067 O\n0.616842 0.781261 0.452421 O\n0.213405 0.776957 0.649851 O\n0.802923 0.762897 0.842945 O\n0.423001 0.787068 0.058933 O\n0.021720 0.788480 0.254959 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Li",
"Co",
"Ni",
"O"
],
"chemical_system": "Co-Li-Ni-O",
"density": 4.9621933084262775,
"density_atomic": 0.12218968809579615,
"volume": 163.6799333207242,
"volume_molar": 4.928517990224076,
"formula_full": "Li5 Co4 Ni1 O10",
"formula_reduced": "Li5Co4NiO10",
"formula_anonymous": "AB4C5D10",
"energy_above_hull": 2.5570085500000004,
"spacegroup": 12
},
{
"id": "jvasp-119546",
"created_at": "2022-09-04T14:38:51.607513Z",
"updated_at": "2022-09-04T14:38:51.607541Z",
"structure_string": "Mn5 Sn1 O12\n1.0\n5.091816 -0.008393 0.241884\n-2.555758 4.403948 0.241884\n0.418015 0.724513 8.953601\nMn Sn O\n5 1 12\ndirect\n0.833063 0.166939 0.499999 Mn\n0.333329 0.666672 -0.000000 Mn\n0.666672 0.333330 -0.000000 Mn\n0.166939 0.833062 0.500000 Mn\n0.500001 0.500000 0.499999 Mn\n0.000000 0.000000 0.000000 Sn\n0.962716 0.605595 0.112946 O\n0.680163 0.680162 0.887066 O\n0.394407 0.037285 0.887053 O\n0.201078 0.534211 0.395751 O\n0.868433 0.868433 0.394286 O\n0.798924 0.465790 0.604248 O\n0.465790 0.798923 0.604248 O\n0.319839 0.319839 0.112933 O\n0.605595 0.962715 0.112946 O\n0.037286 0.394405 0.887053 O\n0.534212 0.201078 0.395751 O\n0.131569 0.131568 0.605713 O\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Mn",
"Sn",
"O"
],
"chemical_system": "Mn-O-Sn",
"density": 4.88972813552499,
"density_atomic": 0.09054418784165041,
"volume": 198.79796184686725,
"volume_molar": 6.651051716905246,
"formula_full": "Mn5 Sn1 O12",
"formula_reduced": "Mn5SnO12",
"formula_anonymous": "AB5C12",
"energy_above_hull": 3.434842217049808,
"spacegroup": 12
},
{
"id": "jvasp-116834",
"created_at": "2022-09-04T14:38:51.517929Z",
"updated_at": "2022-09-04T14:38:51.517945Z",
"structure_string": "Fe6 O4 F8\n1.0\n4.721665 -0.045941 0.033429\n-0.327964 4.710485 0.033429\n0.005066 0.005378 9.242891\nFe O F\n6 4 8\ndirect\n0.000000 0.000000 0.000000 Fe\n0.030095 0.030095 0.336233 Fe\n0.969906 0.969905 0.663767 Fe\n0.485608 0.485607 0.152376 Fe\n0.514393 0.514392 0.847624 Fe\n0.500000 0.500000 0.500000 Fe\n0.321192 0.321192 0.333786 O\n0.293027 0.293026 0.996668 O\n0.706974 0.706973 0.003332 O\n0.678809 0.678808 0.666214 O\n0.796309 0.191252 0.833072 F\n0.203692 0.808748 0.166928 F\n0.202028 0.797972 0.500000 F\n0.191253 0.796308 0.833072 F\n0.718464 0.718464 0.333166 F\n0.281536 0.281536 0.666834 F\n0.808748 0.203692 0.166928 F\n0.797973 0.202027 0.500000 F\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Fe",
"O",
"F"
],
"chemical_system": "F-Fe-O",
"density": 4.454235825419632,
"density_atomic": 0.08761970858009473,
"volume": 205.43323290725033,
"volume_molar": 6.87304358527403,
"formula_full": "Fe6 O4 F8",
"formula_reduced": "Fe3(OF2)2",
"formula_anonymous": "A2B3C4",
"energy_above_hull": 1.703104958888889,
"spacegroup": 12
},
{
"id": "jvasp-119051",
"created_at": "2022-09-04T14:38:51.479369Z",
"updated_at": "2022-09-04T14:38:51.479395Z",
"structure_string": "Nb8 Pt1 Se20\n1.0\n9.981286 -0.026062 2.866787\n9.385786 3.396139 2.866787\n0.170818 0.029724 19.585460\nNb Pt Se\n8 1 20\ndirect\n0.077720 0.077720 0.091587 Nb\n0.922281 0.922280 0.908414 Nb\n0.329966 0.329965 0.811251 Nb\n0.670035 0.670035 0.188749 Nb\n0.269883 0.269883 0.279525 Nb\n0.730118 0.730117 0.720475 Nb\n0.150336 0.150335 0.556529 Nb\n0.849665 0.849665 0.443472 Nb\n0.500000 0.500000 0.000000 Pt\n0.793069 0.793067 0.914867 Se\n0.206932 0.206932 0.085133 Se\n0.522573 0.522572 0.867964 Se\n0.477428 0.477428 0.132036 Se\n0.668791 0.668791 0.324102 Se\n0.331210 0.331209 0.675898 Se\n0.744483 0.744482 0.572440 Se\n0.255518 0.255517 0.427560 Se\n0.801655 0.801656 0.173934 Se\n0.861700 0.861701 0.300757 Se\n0.623020 0.623018 0.987884 Se\n0.376982 0.376982 0.012116 Se\n0.069452 0.069452 0.229068 Se\n0.138301 0.138299 0.699243 Se\n0.595956 0.595956 0.483196 Se\n0.404045 0.404044 0.516804 Se\n0.549316 0.549315 0.611446 Se\n0.450685 0.450684 0.388554 Se\n0.198346 0.198344 0.826066 Se\n0.930549 0.930548 0.770932 Se\n",
"nsites": 29,
"nelements": 3,
"elements": [
"Nb",
"Pt",
"Se"
],
"chemical_system": "Nb-Pt-Se",
"density": 6.2678560342581315,
"density_atomic": 0.043480285705501005,
"volume": 666.9689384384841,
"volume_molar": 13.850278723532158,
"formula_full": "Nb8 Pt1 Se20",
"formula_reduced": "Nb8PtSe20",
"formula_anonymous": "AB8C20",
"energy_above_hull": 3.2702549632183917,
"spacegroup": 12
}
]
}