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=3830",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=energy_above_hull&page=3828",
"results": [
{
"id": "jvasp-117192",
"created_at": "2022-09-04T14:38:46.612152Z",
"updated_at": "2022-09-04T14:38:46.612171Z",
"structure_string": "Ti1 Nb2 Zn1 O8\n1.0\n5.756664 0.000000 0.000000\n0.000000 4.740111 0.128196\n-0.000000 0.006453 5.009123\nTi Nb Zn O\n1 2 1 8\ndirect\n0.170620 0.500000 0.500000 Ti\n0.808604 0.500000 0.000000 Nb\n0.314510 0.000000 -0.000000 Nb\n0.700520 -0.000000 0.500000 Zn\n0.901034 0.289206 0.684287 O\n0.608821 0.224690 0.161152 O\n0.608821 0.775309 0.838848 O\n0.901034 0.710794 0.315713 O\n0.117548 0.736078 0.818381 O\n0.375466 0.754509 0.320835 O\n0.375466 0.245490 0.679165 O\n0.117548 0.263921 0.181619 O\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Ti",
"Nb",
"Zn",
"O"
],
"chemical_system": "Nb-O-Ti-Zn",
"density": 5.188674180783389,
"density_atomic": 0.08779611283529411,
"volume": 136.6803109211914,
"volume_molar": 6.859233929066499,
"formula_full": "Ti1 Nb2 Zn1 O8",
"formula_reduced": "TiNb2ZnO8",
"formula_anonymous": "ABC2D8",
"energy_above_hull": 3.0836946277777777,
"spacegroup": 3
},
{
"id": "jvasp-112769",
"created_at": "2022-09-04T14:38:42.296104Z",
"updated_at": "2022-09-04T14:38:42.296133Z",
"structure_string": "Li2 Fe2 P4 H3 O16\n1.0\n4.798979 -0.018903 -1.143089\n0.262958 7.983408 -0.070326\n0.050736 -0.023833 7.237605\nLi Fe P H O\n2 2 4 3 16\ndirect\n0.360981 0.850538 0.828084 Li\n0.628958 0.149550 0.173478 Li\n0.498308 0.501767 0.001640 Fe\n-0.001690 0.997479 0.496558 Fe\n0.120774 0.341036 0.265086 P\n0.371383 0.849193 0.236623 P\n0.626663 0.152799 0.754314 P\n0.875078 0.659289 0.735654 P\n0.963893 0.014926 0.985112 H\n0.330303 0.396523 0.571029 H\n0.661046 0.604368 0.430182 H\n0.652973 0.682575 0.854460 O\n0.845583 0.165085 0.629941 O\n0.761645 0.554274 0.554543 O\n0.610998 0.962703 0.332625 O\n0.481427 0.668076 0.216783 O\n0.770214 0.079430 0.955175 O\n0.345220 0.319306 0.148177 O\n0.158488 0.834574 0.369487 O\n0.516345 0.330117 0.784627 O\n0.392564 0.034856 0.668349 O\n0.229224 0.446170 0.446934 O\n0.861819 0.429231 0.147968 O\n0.134531 0.569895 0.851242 O\n0.958565 0.836395 0.680983 O\n0.232137 0.924802 0.044771 O\n0.038751 0.163085 0.318165 O\n",
"nsites": 27,
"nelements": 5,
"elements": [
"Li",
"Fe",
"P",
"H",
"O"
],
"chemical_system": "Fe-H-Li-O-P",
"density": 3.039572209903594,
"density_atomic": 0.09719684620178273,
"volume": 277.78679098236813,
"volume_molar": 6.195819098387109,
"formula_full": "Li2 Fe2 P4 H3 O16",
"formula_reduced": "Li2Fe2P4H3O16",
"formula_anonymous": "A2B2C3D4E16",
"energy_above_hull": 3.0837477407407405,
"spacegroup": 1
},
{
"id": "jvasp-106560",
"created_at": "2022-09-04T14:36:54.083289Z",
"updated_at": "2022-09-04T14:36:54.083313Z",
"structure_string": "Mg1 Mn1 Ir2\n1.0\n3.735668 -0.000000 2.156789\n1.245223 3.522022 2.156789\n-0.000000 -0.000000 4.313578\nMg Mn Ir\n1 1 2\ndirect\n0.500000 0.500000 0.500001 Mg\n0.000000 0.000000 0.000000 Mn\n0.250000 0.250000 0.250000 Ir\n0.750000 0.750000 0.750001 Ir\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mg",
"Mn",
"Ir"
],
"chemical_system": "Ir-Mg-Mn",
"density": 13.566465081179688,
"density_atomic": 0.07047936769241822,
"volume": 56.75419815706289,
"volume_molar": 8.544544250569132,
"formula_full": "Mg1 Mn1 Ir2",
"formula_reduced": "MgMnIr2",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.083817122844827,
"spacegroup": 225
},
{
"id": "jvasp-16268",
"created_at": "2022-09-04T14:37:53.803761Z",
"updated_at": "2022-09-04T14:37:53.803791Z",
"structure_string": "Y3 Sn1 C1\n1.0\n4.879260 0.000000 -0.000000\n-0.000000 4.879260 -0.000000\n0.000000 0.000000 4.879260\nY Sn C\n3 1 1\ndirect\n0.500000 0.000000 0.500000 Y\n0.000000 0.500000 0.500000 Y\n0.500000 0.500000 0.000000 Y\n0.000000 0.000000 0.000000 Sn\n0.500000 0.500000 0.500000 C\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Y",
"Sn",
"C"
],
"chemical_system": "C-Sn-Y",
"density": 5.681419750741517,
"density_atomic": 0.04304355389476637,
"volume": 116.1614120484588,
"volume_molar": 13.990807484723577,
"formula_full": "Y3 Sn1 C1",
"formula_reduced": "Y3SnC",
"formula_anonymous": "ABC3",
"energy_above_hull": 3.08386161,
"spacegroup": 221
},
{
"id": "jvasp-50920",
"created_at": "2022-09-04T14:37:29.130451Z",
"updated_at": "2022-09-04T14:37:29.130478Z",
"structure_string": "Dy4 Nb4 O14\n1.0\n-0.000000 5.179587 5.179587\n5.179587 0.000000 5.179587\n5.179587 5.179587 0.000000\nDy Nb O\n4 4 14\ndirect\n0.500000 0.000000 0.000000 Dy\n0.000000 0.000000 0.000000 Dy\n0.000000 0.500000 0.000000 Dy\n0.000000 0.000000 0.500000 Dy\n0.500000 0.000000 0.500000 Nb\n0.500000 0.500000 0.000000 Nb\n0.000000 0.500000 0.500000 Nb\n0.500000 0.500000 0.500000 Nb\n0.404075 0.845925 0.404075 O\n0.845925 0.404075 0.845925 O\n0.845925 0.845925 0.404075 O\n0.404075 0.404075 0.845925 O\n0.154075 0.595925 0.595925 O\n0.845925 0.404075 0.404075 O\n0.154075 0.154075 0.595925 O\n0.595925 0.595925 0.154075 O\n0.595925 0.154075 0.595925 O\n0.404075 0.845925 0.845925 O\n0.595925 0.154075 0.154075 O\n0.125000 0.125000 0.125000 O\n0.154075 0.595925 0.154075 O\n0.875000 0.875000 0.875000 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Dy",
"Nb",
"O"
],
"chemical_system": "Dy-Nb-O",
"density": 7.442490241522641,
"density_atomic": 0.07916027396982298,
"volume": 277.9171786139436,
"volume_molar": 7.607528951069227,
"formula_full": "Dy4 Nb4 O14",
"formula_reduced": "Dy2Nb2O7",
"formula_anonymous": "A2B2C7",
"energy_above_hull": 3.084018754545454,
"spacegroup": 227
},
{
"id": "jvasp-45274",
"created_at": "2022-09-04T14:38:02.766380Z",
"updated_at": "2022-09-04T14:38:02.766401Z",
"structure_string": "Yb1 Al3 B4 O12\n1.0\n5.727690 0.015140 -1.459286\n-1.881220 5.409960 -1.459286\n0.010734 0.015140 5.910654\nYb Al B O\n1 3 4 12\ndirect\n0.000000 0.000000 0.000000 Yb\n-0.000000 0.443013 0.556987 Al\n0.556987 0.000000 0.443012 Al\n0.443013 0.556987 -0.000001 Al\n0.941525 0.500000 0.058474 B\n0.500000 0.500000 0.499999 B\n0.058475 0.941525 0.499999 B\n0.499999 0.058475 0.941524 B\n0.500000 0.909508 0.090491 O\n0.090491 0.500000 0.909507 O\n0.909508 0.090492 0.499999 O\n0.029515 0.774940 0.624124 O\n0.774940 0.624125 0.029515 O\n0.225060 0.970484 0.375874 O\n0.375875 0.225060 0.970483 O\n0.970484 0.375875 0.225059 O\n0.500000 0.648101 0.351898 O\n0.351899 0.500000 0.648100 O\n0.648100 0.351899 0.499999 O\n0.624124 0.029516 0.774939 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Yb",
"Al",
"B",
"O"
],
"chemical_system": "Al-B-O-Yb",
"density": 4.4253580627463185,
"density_atomic": 0.10894915192087123,
"volume": 183.5718741025705,
"volume_molar": 5.527478327113391,
"formula_full": "Yb1 Al3 B4 O12",
"formula_reduced": "YbAl3(BO3)4",
"formula_anonymous": "AB3C4D12",
"energy_above_hull": 3.084143571666667,
"spacegroup": 155
},
{
"id": "jvasp-14667",
"created_at": "2022-09-04T14:35:45.533984Z",
"updated_at": "2022-09-04T14:35:45.534010Z",
"structure_string": "Hf1 B1\n1.0\n2.962536 0.000000 1.710421\n0.987512 2.793106 1.710421\n0.000000 0.000000 3.420842\nHf B\n1 1\ndirect\n0.500000 0.500001 0.499999 Hf\n0.000000 0.000000 0.000000 B\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Hf",
"B"
],
"chemical_system": "B-Hf",
"density": 11.104983963148369,
"density_atomic": 0.07065549213869231,
"volume": 28.306362880809395,
"volume_molar": 8.523245083593663,
"formula_full": "Hf1 B1",
"formula_reduced": "HfB",
"formula_anonymous": "AB",
"energy_above_hull": 3.084187791666668,
"spacegroup": 225
},
{
"id": "jvasp-110729",
"created_at": "2022-09-04T14:38:37.650085Z",
"updated_at": "2022-09-04T14:38:37.650107Z",
"structure_string": "Th1 Cu1 N2\n1.0\n3.978245 0.000000 0.000000\n0.000000 3.978245 0.000000\n0.000000 0.000000 3.345476\nTh Cu N\n1 1 2\ndirect\n0.500001 0.500001 0.500001 Th\n0.000000 0.000000 0.000000 Cu\n-0.000000 0.500001 -0.000000 N\n0.500001 0.000000 -0.000000 N\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Th",
"Cu",
"N"
],
"chemical_system": "Cu-N-Th",
"density": 10.148765825813008,
"density_atomic": 0.07554731284286892,
"volume": 52.946952703924914,
"volume_molar": 7.971350049902461,
"formula_full": "Th1 Cu1 N2",
"formula_reduced": "ThCuN2",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.0841906375,
"spacegroup": 123
},
{
"id": "jvasp-28687",
"created_at": "2022-09-04T14:37:54.035364Z",
"updated_at": "2022-09-04T14:37:54.035389Z",
"structure_string": "Te4 Mo4 Se2 S2\n1.0\n3.406218 0.000000 0.000000\n-1.703108 2.949880 0.000053\n0.000000 0.000408 37.220349\nTe Mo Se S\n4 4 2 2\ndirect\n0.333322 0.666645 0.326357 Te\n0.666648 0.333296 0.421883 Te\n0.666632 0.333262 0.522661 Te\n0.333343 0.666689 0.225512 Te\n0.333392 0.666784 0.097201 Mo\n0.333303 0.666606 0.472290 Mo\n0.666669 0.333339 0.275964 Mo\n0.666637 0.333274 0.657503 Mo\n0.333293 0.666587 0.701713 Se\n0.333307 0.666615 0.613214 Se\n0.666733 0.333466 0.056886 S\n0.666721 0.333440 0.137564 S\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Te",
"Mo",
"Se",
"S"
],
"chemical_system": "Mo-S-Se-Te",
"density": 4.956073934072968,
"density_atomic": 0.03208662333245742,
"volume": 373.98762330535817,
"volume_molar": 18.76838425035603,
"formula_full": "Te4 Mo4 Se2 S2",
"formula_reduced": "Te2Mo2SeS",
"formula_anonymous": "ABC2D2",
"energy_above_hull": 3.0844417833333333,
"spacegroup": 156
},
{
"id": "jvasp-30538",
"created_at": "2022-09-04T14:37:29.011637Z",
"updated_at": "2022-09-04T14:37:29.011653Z",
"structure_string": "Mo2 O4\n1.0\n2.998599 -0.000000 -0.000000\n-1.499300 2.596864 0.000000\n-0.000000 0.000000 10.782024\nMo O\n2 4\ndirect\n0.666667 0.333333 0.750000 Mo\n0.333333 0.666666 0.250000 Mo\n0.333333 0.666666 0.413603 O\n0.666667 0.333333 0.913603 O\n0.333333 0.666666 0.086397 O\n0.666667 0.333333 0.586397 O\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Mo",
"O"
],
"chemical_system": "Mo-O",
"density": 5.060733574393906,
"density_atomic": 0.07146334797041252,
"volume": 83.9591226887962,
"volume_molar": 8.426894248634007,
"formula_full": "Mo2 O4",
"formula_reduced": "MoO2",
"formula_anonymous": "AB2",
"energy_above_hull": 3.0845376333333325,
"spacegroup": 194
},
{
"id": "jvasp-55500",
"created_at": "2022-09-04T14:38:08.562583Z",
"updated_at": "2022-09-04T14:38:08.562610Z",
"structure_string": "V4 Cr4 O16\n1.0\n6.448834 0.004221 1.490752\n0.351846 6.439230 1.490752\n0.005344 0.005063 6.858025\nV Cr O\n4 4 16\ndirect\n0.250946 0.749054 0.000001 V\n0.749054 0.250947 -0.000000 V\n0.273429 0.273429 0.602131 V\n0.726570 0.726570 0.397868 V\n0.180334 0.819666 0.499999 Cr\n0.797434 0.797434 0.857103 Cr\n0.202567 0.202566 0.142896 Cr\n0.819665 0.180333 0.500000 Cr\n0.502317 0.793817 0.888164 O\n0.497684 0.206182 0.111834 O\n0.206183 0.497684 0.111834 O\n0.793817 0.502316 0.888165 O\n0.203050 0.528399 0.527380 O\n0.138872 0.138872 0.458241 O\n0.861127 0.861128 0.541757 O\n0.802402 0.107229 0.796763 O\n0.892771 0.197596 0.203236 O\n0.197597 0.892769 0.203236 O\n0.107230 0.802404 0.796763 O\n0.528400 0.203049 0.527381 O\n0.796951 0.471600 0.472618 O\n0.471598 0.796950 0.472619 O\n0.205755 0.205754 0.864738 O\n0.794246 0.794245 0.135261 O\n",
"nsites": 24,
"nelements": 3,
"elements": [
"V",
"Cr",
"O"
],
"chemical_system": "Cr-O-V",
"density": 3.894993445054887,
"density_atomic": 0.08430648105433898,
"volume": 284.6756227973863,
"volume_molar": 7.143152797610521,
"formula_full": "V4 Cr4 O16",
"formula_reduced": "VCrO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 3.084555933333333,
"spacegroup": 12
},
{
"id": "jvasp-57157",
"created_at": "2022-09-04T14:37:31.428984Z",
"updated_at": "2022-09-04T14:37:31.429007Z",
"structure_string": "V2 Fe1 S4\n1.0\n3.247763 0.000260 -0.000324\n-0.000663 5.772986 -0.004516\n-1.623062 -2.633899 5.385417\nV Fe S\n2 1 4\ndirect\n0.739631 0.687447 0.479268 V\n0.260369 0.312553 0.520732 V\n0.000000 0.000000 0.000000 Fe\n0.102994 0.437567 0.206007 S\n0.897007 0.562434 0.793994 S\n0.632680 0.975048 0.265375 S\n0.367321 0.024953 0.734626 S\n",
"nsites": 7,
"nelements": 3,
"elements": [
"V",
"Fe",
"S"
],
"chemical_system": "Fe-S-V",
"density": 4.705133803786244,
"density_atomic": 0.06935425489733436,
"volume": 100.9310821717017,
"volume_molar": 8.683159769958774,
"formula_full": "V2 Fe1 S4",
"formula_reduced": "V2FeS4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 3.0846276999999995,
"spacegroup": 12
}
]
}