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{
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"results": [
{
"id": "jvasp-112500",
"created_at": "2022-09-04T14:38:40.844137Z",
"updated_at": "2022-09-04T14:38:40.844155Z",
"structure_string": "Li4 Mn1 Co3 O8\n1.0\n2.847261 -0.019640 0.087023\n0.005482 4.868069 0.856326\n-0.293280 0.046032 9.451220\nLi Mn Co O\n4 1 3 8\ndirect\n0.000000 0.000000 0.000000 Li\n0.500012 0.745958 0.247883 Li\n-0.000000 0.500000 0.500000 Li\n0.499987 0.254042 0.752117 Li\n0.500000 -0.000000 0.500000 Mn\n-0.000018 0.751840 0.751134 Co\n0.499999 0.500000 0.000000 Co\n0.000017 0.248160 0.248866 Co\n0.500153 0.850745 0.871015 O\n0.000207 0.596544 0.119933 O\n0.500175 0.349871 0.371038 O\n0.000184 0.107964 0.620939 O\n0.499845 0.149255 0.128985 O\n0.999815 0.892036 0.379061 O\n0.499824 0.650128 0.628962 O\n-0.000208 0.403456 0.880068 O\n",
"nsites": 16,
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"elements": [
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"volume": 131.01815633959578,
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"formula_full": "Li4 Mn1 Co3 O8",
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{
"id": "jvasp-53086",
"created_at": "2022-09-04T14:35:52.724026Z",
"updated_at": "2022-09-04T14:35:52.724061Z",
"structure_string": "Al4 C1 O1\n1.0\n2.931659 0.001011 0.034507\n0.000224 5.093117 -0.008261\n-0.070386 -0.121691 5.217669\nAl C O\n4 1 1\ndirect\n0.040351 0.787529 0.605456 Al\n0.542176 0.914593 0.088618 Al\n0.541260 0.228787 0.572824 Al\n0.041390 0.445576 0.024023 Al\n0.540758 0.570703 0.778514 C\n0.541649 0.287551 0.218894 O\n",
"nsites": 6,
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"elements": [
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],
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"density": 2.897065057274811,
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"volume": 77.9159102525684,
"volume_molar": 7.8203429830749,
"formula_full": "Al4 C1 O1",
"formula_reduced": "Al4CO",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.708634116666667,
"spacegroup": 6
},
{
"id": "jvasp-119171",
"created_at": "2022-09-04T14:38:51.749687Z",
"updated_at": "2022-09-04T14:38:51.749722Z",
"structure_string": "Li2 Al2 Si6 O16\n1.0\n6.650048 -0.058349 -2.434886\n-2.200021 6.158189 -3.187961\n-0.009337 -0.016322 7.545671\nLi Al Si O\n2 2 6 16\ndirect\n0.879843 0.754373 0.715801 Li\n0.120158 0.245627 0.284199 Li\n0.801919 0.147228 0.842069 Al\n0.198081 0.852772 0.157931 Al\n0.289310 0.574065 0.777793 Si\n0.239889 0.173684 0.816404 Si\n0.710690 0.425935 0.222206 Si\n0.366424 0.775292 0.533628 Si\n0.633576 0.224708 0.466371 Si\n0.760111 0.826317 0.183595 Si\n0.842480 0.282032 0.119501 O\n0.457879 0.318860 0.049580 O\n0.542121 0.681140 0.950419 O\n0.193878 0.319594 0.701160 O\n0.806122 0.680406 0.298840 O\n0.157520 0.717968 0.880499 O\n0.269721 0.960345 0.648199 O\n0.626274 0.871872 0.679051 O\n0.957428 0.900505 0.139996 O\n0.042572 0.099496 0.860004 O\n0.373726 0.128128 0.320949 O\n0.717545 0.298383 0.723175 O\n0.265787 0.561879 0.546096 O\n0.734213 0.438122 0.453904 O\n0.730279 0.039655 0.351801 O\n0.282455 0.701618 0.276825 O\n",
"nsites": 26,
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"elements": [
"Li",
"Al",
"Si",
"O"
],
"chemical_system": "Al-Li-O-Si",
"density": 2.659017655386426,
"density_atomic": 0.08456153783946246,
"volume": 307.46839123668985,
"volume_molar": 7.12160742799268,
"formula_full": "Li2 Al2 Si6 O16",
"formula_reduced": "LiAlSi3O8",
"formula_anonymous": "ABC3D8",
"energy_above_hull": 2.708591276923077,
"spacegroup": 2
},
{
"id": "jvasp-117213",
"created_at": "2022-09-04T14:38:49.443311Z",
"updated_at": "2022-09-04T14:38:49.443337Z",
"structure_string": "Ho4 V2 Fe2 O12\n1.0\n5.578820 0.000000 0.000000\n-0.000000 4.197939 2.974144\n-0.000000 0.003435 9.100418\nHo V Fe O\n4 2 2 12\ndirect\n0.575820 0.727371 0.749514 Ho\n0.075821 0.272631 0.750486 Ho\n0.424179 0.272630 0.250486 Ho\n0.924179 0.727370 0.249514 Ho\n0.000000 0.500000 -0.000000 V\n0.500000 0.500001 0.500000 V\n0.000000 0.000001 0.500000 Fe\n0.500000 0.000000 -0.000000 Fe\n0.694469 0.242173 0.448326 O\n0.194470 0.757828 0.051674 O\n0.700062 0.633250 0.053334 O\n0.200063 0.366751 0.446665 O\n0.305530 0.757828 0.551674 O\n0.466527 0.143630 0.749471 O\n0.533473 0.856371 0.250529 O\n0.033473 0.143630 0.249471 O\n0.799937 0.633251 0.553334 O\n0.966527 0.856371 0.750529 O\n0.805530 0.242174 0.948326 O\n0.299937 0.366751 0.946665 O\n",
"nsites": 20,
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"elements": [
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"V",
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],
"chemical_system": "Fe-Ho-O-V",
"density": 8.302179092673276,
"density_atomic": 0.09386557307741948,
"volume": 213.07066418807437,
"volume_molar": 6.415707657836375,
"formula_full": "Ho4 V2 Fe2 O12",
"formula_reduced": "Ho2VFeO6",
"formula_anonymous": "ABC2D6",
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"spacegroup": 14
},
{
"id": "jvasp-42725",
"created_at": "2022-09-04T14:37:51.375402Z",
"updated_at": "2022-09-04T14:37:51.375427Z",
"structure_string": "Li3 Fe2 Si2 O8\n1.0\n4.952505 -0.106895 -0.016322\n-0.134408 5.253843 0.051472\n-0.112964 -0.081643 6.545040\nLi Fe Si O\n3 2 2 8\ndirect\n0.493194 0.158877 0.506456 Li\n0.504645 0.650495 0.278352 Li\n0.996260 0.846854 0.508871 Li\n0.487365 0.171431 0.991486 Fe\n0.025973 0.819201 0.000504 Fe\n-0.006303 0.325372 0.263819 Si\n0.492634 0.670349 0.736800 Si\n0.113694 0.182957 0.456509 O\n0.099526 0.185749 0.049272 O\n0.656388 0.310042 0.242718 O\n0.554608 0.367344 0.757171 O\n0.100130 0.631404 0.245325 O\n0.166996 0.719843 0.752326 O\n0.622317 0.819497 0.953801 O\n0.608959 0.801482 0.531300 O\n",
"nsites": 15,
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"elements": [
"Li",
"Fe",
"Si",
"O"
],
"chemical_system": "Fe-Li-O-Si",
"density": 3.0893326811706063,
"density_atomic": 0.08812259978034652,
"volume": 170.2174020896892,
"volume_molar": 6.8338210345708434,
"formula_full": "Li3 Fe2 Si2 O8",
"formula_reduced": "Li3Fe2(SiO4)2",
"formula_anonymous": "A2B2C3D8",
"energy_above_hull": 2.70839708,
"spacegroup": 1
},
{
"id": "jvasp-44648",
"created_at": "2022-09-04T14:38:11.461343Z",
"updated_at": "2022-09-04T14:38:11.461368Z",
"structure_string": "K4 V2 P2 C2 O14\n1.0\n0.000000 5.548748 -0.058899\n6.670525 0.000000 0.000000\n0.000000 -0.080823 -9.661845\nK V P C O\n4 2 2 2 14\ndirect\n0.244198 0.475410 0.240853 K\n0.244198 0.024590 0.240853 K\n0.755803 0.524591 0.759147 K\n0.755803 0.975410 0.759147 K\n0.775680 0.750001 0.358163 V\n0.224321 0.250000 0.641837 V\n0.722187 0.250000 0.432759 P\n0.277814 0.750001 0.567240 P\n0.725686 0.750001 0.102783 C\n0.274315 0.250000 0.897216 C\n0.453166 0.250000 0.806133 O\n0.229981 0.940446 0.655130 O\n0.229981 0.559555 0.655130 O\n0.890490 0.250000 0.561091 O\n0.547369 0.750001 0.520627 O\n0.452631 0.250000 0.479373 O\n0.936182 0.750001 0.165519 O\n0.770020 0.440446 0.344870 O\n0.770020 0.059555 0.344870 O\n0.546835 0.750001 0.193867 O\n0.063819 0.250000 0.834481 O\n0.303733 0.250000 0.024844 O\n0.109511 0.750001 0.438909 O\n0.696268 0.750001 0.975156 O\n",
"nsites": 24,
"nelements": 5,
"elements": [
"K",
"V",
"P",
"C",
"O"
],
"chemical_system": "C-K-O-P-V",
"density": 2.638303479478798,
"density_atomic": 0.06710541964834948,
"volume": 357.6462247873045,
"volume_molar": 8.97414961646562,
"formula_full": "K4 V2 P2 C2 O14",
"formula_reduced": "K2VPCO7",
"formula_anonymous": "ABCD2E7",
"energy_above_hull": 2.708373349999999,
"spacegroup": 11
},
{
"id": "jvasp-18218",
"created_at": "2022-09-04T14:37:31.879215Z",
"updated_at": "2022-09-04T14:37:31.879234Z",
"structure_string": "Fe3 Sn1\n1.0\n3.797616 0.000000 -0.000000\n0.000000 3.797616 0.000000\n-0.000000 0.000000 3.797616\nFe Sn\n3 1\ndirect\n0.000000 0.500001 0.500001 Fe\n0.500001 0.500001 0.000000 Fe\n0.500001 0.000000 0.500001 Fe\n0.000000 0.000000 0.000000 Sn\n",
"nsites": 4,
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"elements": [
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],
"chemical_system": "Fe-Sn",
"density": 8.678683717596332,
"density_atomic": 0.07303429576334484,
"volume": 54.76878989784904,
"volume_molar": 8.245634050492823,
"formula_full": "Fe3 Sn1",
"formula_reduced": "Fe3Sn",
"formula_anonymous": "AB3",
"energy_above_hull": 2.70835955,
"spacegroup": 221
},
{
"id": "jvasp-81343",
"created_at": "2022-09-04T14:37:06.036773Z",
"updated_at": "2022-09-04T14:37:06.036800Z",
"structure_string": "Li1 Mn1 Rh2\n1.0\n-6.748721 -1.862976 -6.938564\n-4.243019 -1.972238 -1.209041\n-2.955145 1.670405 -3.439681\nLi Mn Rh\n1 1 2\ndirect\n0.000001 0.000007 0.000007 Li\n0.500004 -0.000008 -0.000010 Mn\n0.749134 0.001621 0.001619 Rh\n0.250862 -0.001619 -0.001619 Rh\n",
"nsites": 4,
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"elements": [
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"Mn",
"Rh"
],
"chemical_system": "Li-Mn-Rh",
"density": 8.760828229366151,
"density_atomic": 0.0788358652480437,
"volume": 50.73832813802039,
"volume_molar": 7.638833849355688,
"formula_full": "Li1 Mn1 Rh2",
"formula_reduced": "LiMnRh2",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.7083083103448278,
"spacegroup": 71
},
{
"id": "jvasp-18663",
"created_at": "2022-09-04T14:36:08.924013Z",
"updated_at": "2022-09-04T14:36:08.924034Z",
"structure_string": "U2 Cu2 P4\n1.0\n3.711534 0.000000 -0.746454\n-0.150125 3.708497 -0.746454\n0.034321 0.035739 9.771171\nU Cu P\n2 2 4\ndirect\n0.890649 0.890650 0.781299 U\n0.109351 0.109351 0.218702 U\n0.749999 0.250000 0.500000 Cu\n0.250001 0.750001 0.500000 Cu\n0.668212 0.668213 0.336424 P\n0.331788 0.331788 0.663577 P\n0.499999 -0.000000 0.000000 P\n0.000001 0.500000 0.000000 P\n",
"nsites": 8,
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],
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"density": 8.963411478009842,
"density_atomic": 0.05939542716533294,
"volume": 134.69050366000775,
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"formula_full": "U2 Cu2 P4",
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},
{
"id": "jvasp-112279",
"created_at": "2022-09-04T14:38:26.217049Z",
"updated_at": "2022-09-04T14:38:26.217083Z",
"structure_string": "Li8 Mn6 O14\n1.0\n4.838036 0.014506 1.205296\n1.134024 6.745360 0.811577\n-0.008598 0.009997 7.603250\nLi Mn O\n8 6 14\ndirect\n0.707826 0.060323 0.568821 Li\n0.837607 0.762665 0.285505 Li\n0.577770 0.354997 0.849204 Li\n0.422229 0.645004 0.150797 Li\n0.292174 0.939678 0.431180 Li\n0.162392 0.237336 0.714496 Li\n-0.000000 0.500000 0.000000 Li\n0.500000 0.500000 0.500000 Li\n0.646834 0.235364 0.222392 Mn\n0.353165 0.764637 0.777609 Mn\n0.783047 0.925514 0.927492 Mn\n0.073228 0.370852 0.359188 Mn\n0.926771 0.629149 0.640813 Mn\n0.216953 0.074487 0.072509 Mn\n0.392177 0.220052 0.450472 O\n0.531878 0.926741 0.164189 O\n0.668514 0.639742 0.873127 O\n0.975168 0.103440 0.317371 O\n0.845513 0.378961 0.599076 O\n0.900076 0.211662 0.981283 O\n0.024831 0.896561 0.682630 O\n0.331485 0.360259 0.126874 O\n0.468122 0.073260 0.835812 O\n0.773635 0.491580 0.255632 O\n0.607823 0.779949 0.549529 O\n0.226364 0.508421 0.744369 O\n0.154487 0.621040 0.400925 O\n0.099924 0.788339 0.018718 O\n",
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],
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"volume": 248.04583862804373,
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"formula_full": "Li8 Mn6 O14",
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"spacegroup": 2
},
{
"id": "jvasp-91947",
"created_at": "2022-09-04T14:36:16.578550Z",
"updated_at": "2022-09-04T14:36:16.578568Z",
"structure_string": "U2 Cu2 P4\n1.0\n3.786008 0.000000 -0.000000\n0.000000 3.786008 -0.000000\n-1.893004 -1.893004 9.391498\nU Cu P\n2 2 4\ndirect\n0.890688 0.890688 0.781374 U\n0.109313 0.109313 0.218626 U\n0.250001 0.750001 0.500000 Cu\n0.750001 0.250001 0.500000 Cu\n0.500000 0.000000 0.000000 P\n0.000000 0.500000 0.000000 P\n0.668175 0.668175 0.336348 P\n0.331827 0.331827 0.663652 P\n",
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],
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"density_atomic": 0.05942812963092133,
"volume": 134.6163853663919,
"volume_molar": 10.133485265985204,
"formula_full": "U2 Cu2 P4",
"formula_reduced": "UCuP2",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.7079993625,
"spacegroup": 139
},
{
"id": "jvasp-112497",
"created_at": "2022-09-04T14:38:40.775781Z",
"updated_at": "2022-09-04T14:38:40.775808Z",
"structure_string": "In6 Ga2 N8\n1.0\n6.958534 -0.000000 0.000000\n-3.479267 6.026267 0.000000\n-0.000000 -0.000000 5.651059\nIn Ga N\n6 2 8\ndirect\n0.339027 0.169514 0.998581 In\n0.830485 0.660973 0.998581 In\n0.830485 0.169514 0.998581 In\n0.169514 0.830486 0.498581 In\n0.169514 0.339028 0.498581 In\n0.660972 0.830486 0.498581 In\n0.333333 0.666667 0.999647 Ga\n0.666666 0.333333 0.499647 Ga\n0.353971 0.176986 0.385923 N\n0.823014 0.646029 0.385923 N\n0.823014 0.176986 0.385923 N\n0.333333 0.666667 0.346841 N\n0.666666 0.333333 0.846842 N\n0.176985 0.823015 0.885923 N\n0.176985 0.353971 0.885923 N\n0.646028 0.823015 0.885923 N\n",
"nsites": 16,
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"elements": [
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"N"
],
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"density": 6.589754918696634,
"density_atomic": 0.067518691610757,
"volume": 236.97141662992323,
"volume_molar": 8.919220169012515,
"formula_full": "In6 Ga2 N8",
"formula_reduced": "In3GaN4",
"formula_anonymous": "AB3C4",
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"spacegroup": 186
}
]
}