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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-spacegroup&page=4171",
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"results": [
{
"id": "jvasp-35416",
"created_at": "2022-09-04T14:37:33.624185Z",
"updated_at": "2022-09-04T14:37:33.624211Z",
"structure_string": "V1 Cr2 S4\n1.0\n0.000000 3.421959 0.000000\n-0.055504 0.000000 6.076279\n5.508526 -1.710980 -2.944889\nV Cr S\n1 2 4\ndirect\n0.000000 0.000000 0.000000 V\n0.258500 0.274707 0.516999 Cr\n0.741501 0.725294 0.483003 Cr\n0.123868 0.449251 0.247735 S\n0.876133 0.550750 0.752267 S\n0.368056 0.030533 0.736110 S\n0.631945 0.969467 0.263891 S\n",
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{
"id": "jvasp-10226",
"created_at": "2022-09-04T14:37:33.674325Z",
"updated_at": "2022-09-04T14:37:33.674345Z",
"structure_string": "Rb4 Te2 O6\n1.0\n6.477551 0.000000 0.000000\n-3.238775 5.787403 -0.298978\n0.000000 -0.375996 7.470820\nRb Te O\n4 2 6\ndirect\n0.000000 0.000000 0.000000 Rb\n0.320788 0.641577 0.861747 Rb\n-0.000000 -0.000000 0.500000 Rb\n0.679211 0.358422 0.138253 Rb\n0.341828 0.683656 0.348795 Te\n0.658170 0.316342 0.651205 Te\n0.166520 0.780072 0.213624 O\n0.386448 0.219927 0.786376 O\n0.833478 0.219927 0.786376 O\n0.613550 0.780072 0.213624 O\n0.818113 0.636226 0.723503 O\n0.181886 0.363773 0.276497 O\n",
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"volume": 279.3394091903886,
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"formula_anonymous": "AB2C3",
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"spacegroup": 12
},
{
"id": "jvasp-53161",
"created_at": "2022-09-04T14:37:33.681552Z",
"updated_at": "2022-09-04T14:37:33.681583Z",
"structure_string": "Rb2 Bi2 F6\n1.0\n4.971538 0.006454 1.501355\n-0.645811 5.179750 -0.031704\n2.319131 -0.855871 8.218059\nRb Bi F\n2 2 6\ndirect\n0.508605 0.492179 0.373691 Rb\n-0.007145 0.006952 0.375966 Rb\n0.924986 -0.015704 -0.064277 Bi\n0.576378 0.514749 0.813964 Bi\n0.910100 0.533231 0.498796 F\n0.502664 0.270046 0.049039 F\n-0.001391 0.228933 0.700646 F\n0.098110 0.676458 0.049596 F\n0.591286 -0.034081 0.250919 F\n0.403296 0.822630 0.700122 F\n",
"nsites": 10,
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"elements": [
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],
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"density": 6.006451296956236,
"density_atomic": 0.05146162113556842,
"volume": 194.3195682401144,
"volume_molar": 11.702197923643944,
"formula_full": "Rb2 Bi2 F6",
"formula_reduced": "RbBiF3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.0,
"spacegroup": 12
},
{
"id": "jvasp-9799",
"created_at": "2022-09-04T14:37:34.082839Z",
"updated_at": "2022-09-04T14:37:34.082863Z",
"structure_string": "Ca4 Sn4 O8\n1.0\n3.221909 0.046865 -0.268941\n1.489733 8.438521 -0.104295\n0.781796 1.550016 9.433000\nCa Sn O\n4 4 8\ndirect\n0.791818 0.930421 0.686743 Ca\n0.212330 0.089660 0.285043 Ca\n0.167047 0.179907 0.918325 Ca\n0.837104 0.840173 0.053463 Ca\n0.406942 0.700277 0.420566 Sn\n0.465564 0.581234 0.825606 Sn\n0.538586 0.438856 0.146199 Sn\n0.597213 0.319810 0.551233 Sn\n0.619790 0.274899 0.336418 O\n0.416913 0.679826 0.191415 O\n0.587237 0.340265 0.780387 O\n0.384373 0.745179 0.635385 O\n0.820494 0.873661 0.381297 O\n0.297987 0.919215 0.877652 O\n0.183664 0.146424 0.590514 O\n0.706165 0.100865 0.094137 O\n",
"nsites": 16,
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"elements": [
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"Sn",
"O"
],
"chemical_system": "Ca-O-Sn",
"density": 4.921734208059793,
"density_atomic": 0.062141356099029786,
"volume": 257.4774836664662,
"volume_molar": 9.691035307312877,
"formula_full": "Ca4 Sn4 O8",
"formula_reduced": "CaSnO2",
"formula_anonymous": "ABC2",
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"spacegroup": 12
},
{
"id": "jvasp-35459",
"created_at": "2022-09-04T14:37:34.025136Z",
"updated_at": "2022-09-04T14:37:34.025157Z",
"structure_string": "Ti1 V2 Te4\n1.0\n0.000000 4.019065 0.000000\n-0.088355 0.000000 7.050999\n6.056923 -2.009533 -3.469803\nTi V Te\n1 2 4\ndirect\n0.000000 0.000000 0.000000 Ti\n0.245518 0.269211 0.491033 V\n0.754484 0.730789 0.508967 V\n0.117643 0.459109 0.235287 Te\n0.882359 0.540892 0.764713 Te\n0.368510 0.041679 0.737017 Te\n0.631492 0.958322 0.262983 Te\n",
"nsites": 7,
"nelements": 3,
"elements": [
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"V",
"Te"
],
"chemical_system": "Te-Ti-V",
"density": 6.432692812358788,
"density_atomic": 0.04107703872858666,
"volume": 170.41150522684842,
"volume_molar": 14.660601022850813,
"formula_full": "Ti1 V2 Te4",
"formula_reduced": "Ti(VTe2)2",
"formula_anonymous": "AB2C4",
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"spacegroup": 12
},
{
"id": "jvasp-35503",
"created_at": "2022-09-04T14:37:34.084209Z",
"updated_at": "2022-09-04T14:37:34.084236Z",
"structure_string": "Ti2 Co1 Se4\n1.0\n0.000000 3.579891 -0.000000\n0.003491 -0.000000 6.159716\n5.844752 -1.789946 -3.033524\nTi Co Se\n2 1 4\ndirect\n0.252140 0.265118 0.504281 Ti\n0.747858 0.734883 0.495718 Ti\n0.000000 0.000000 0.000000 Co\n0.114168 0.449898 0.228336 Se\n0.885830 0.550103 0.771663 Se\n0.380093 0.045038 0.760189 Se\n0.619905 0.954963 0.239811 Se\n",
"nsites": 7,
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"elements": [
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"Co",
"Se"
],
"chemical_system": "Co-Se-Ti",
"density": 6.060257201346915,
"density_atomic": 0.05429673683236417,
"volume": 128.921191371257,
"volume_molar": 11.091165162637244,
"formula_full": "Ti2 Co1 Se4",
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"formula_anonymous": "AB2C4",
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"spacegroup": 12
},
{
"id": "jvasp-11279",
"created_at": "2022-09-04T14:37:34.093159Z",
"updated_at": "2022-09-04T14:37:34.093186Z",
"structure_string": "Zn2 Cr3 O8\n1.0\n4.553395 -0.318743 -2.013874\n-0.858418 5.101898 -2.748393\n-0.610477 -0.022720 6.392132\nZn Cr O\n2 3 8\ndirect\n0.725935 0.688157 0.376312 Zn\n0.274062 0.311845 0.623689 Zn\n0.499999 1.000000 0.000001 Cr\n0.999998 0.738007 0.000001 Cr\n0.999998 0.261995 0.000001 Cr\n-0.004166 0.389618 0.779235 O\n0.004165 0.610381 0.220765 O\n0.028841 0.891265 0.782530 O\n0.971157 0.108735 0.217470 O\n0.448376 0.334164 0.205816 O\n0.448376 0.871652 0.205816 O\n0.551624 0.128348 0.794185 O\n0.551624 0.665836 0.794185 O\n",
"nsites": 13,
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"elements": [
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"Cr",
"O"
],
"chemical_system": "Cr-O-Zn",
"density": 4.933505132738913,
"density_atomic": 0.0931128288295594,
"volume": 139.61556278991546,
"volume_molar": 6.467573626211456,
"formula_full": "Zn2 Cr3 O8",
"formula_reduced": "Zn2Cr3O8",
"formula_anonymous": "A2B3C8",
"energy_above_hull": 2.737196230769231,
"spacegroup": 12
},
{
"id": "jvasp-35464",
"created_at": "2022-09-04T14:37:34.117148Z",
"updated_at": "2022-09-04T14:37:34.117173Z",
"structure_string": "Ce2 Fe2 Si2 C1\n1.0\n-0.000000 -3.956668 0.000000\n4.119840 -1.978334 -3.509808\n4.078286 -1.978334 3.481096\nCe Fe Si C\n2 2 2 1\ndirect\n0.438703 0.825347 0.297243 Ce\n0.561295 0.174653 0.702758 Ce\n0.804910 0.309961 0.080219 Fe\n0.195088 0.690040 0.919782 Fe\n0.832050 0.614858 0.721041 Si\n0.167948 0.385143 0.278960 Si\n0.000000 0.000000 0.000000 C\n",
"nsites": 7,
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"elements": [
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"Fe",
"Si",
"C"
],
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"density": 6.738547934272815,
"density_atomic": 0.06173899261091643,
"volume": 113.38053479612962,
"volume_molar": 9.754193428376723,
"formula_full": "Ce2 Fe2 Si2 C1",
"formula_reduced": "Ce2Fe2Si2C",
"formula_anonymous": "AB2C2D2",
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},
{
"id": "jvasp-35458",
"created_at": "2022-09-04T14:37:34.136991Z",
"updated_at": "2022-09-04T14:37:34.137017Z",
"structure_string": "Ti2 Ni1 Se4\n1.0\n0.000000 3.581204 -0.000000\n0.000121 -0.000000 6.181261\n5.912953 -1.790603 -3.051624\nTi Ni Se\n2 1 4\ndirect\n0.251467 0.262547 0.502933 Ti\n0.748532 0.737453 0.497066 Ti\n0.000000 0.000000 0.000000 Ni\n0.116866 0.452799 0.233731 Se\n0.883134 0.547201 0.766268 Se\n0.378110 0.044983 0.756220 Se\n0.621889 0.955017 0.243779 Se\n",
"nsites": 7,
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"density_atomic": 0.05347897599141985,
"volume": 130.89255862197282,
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"formula_full": "Ti2 Ni1 Se4",
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"formula_anonymous": "AB2C4",
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"spacegroup": 12
},
{
"id": "jvasp-31941",
"created_at": "2022-09-04T14:37:34.703633Z",
"updated_at": "2022-09-04T14:37:34.703661Z",
"structure_string": "Cu1 H12 I4 N4\n1.0\n5.468622 4.376664 -4.382862\n-5.468622 4.376664 4.382862\n0.083170 0.000000 6.597839\nCu H I N\n1 12 4 4\ndirect\n0.500000 0.500000 0.000000 Cu\n0.719317 0.791365 0.145011 H\n0.208634 0.280682 0.145011 H\n0.791365 0.719317 0.854989 H\n0.555671 0.876198 0.851152 H\n0.123801 0.444328 0.851152 H\n0.280682 0.208634 0.854989 H\n0.876198 0.555671 0.148848 H\n0.495156 0.763626 0.104973 H\n0.236373 0.504843 0.104973 H\n0.504843 0.236373 0.895027 H\n0.763626 0.495156 0.895027 H\n0.444328 0.123801 0.148848 H\n0.907381 0.092618 0.535296 I\n0.092618 0.907381 0.464704 I\n0.699288 0.300711 0.619870 I\n0.300711 0.699288 0.380130 I\n0.238427 0.425304 0.027291 N\n0.761572 0.574695 0.972709 N\n0.425304 0.238427 0.972709 N\n0.574695 0.761572 0.027291 N\n",
"nsites": 21,
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],
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"density": 3.327559550408129,
"density_atomic": 0.06582651559281352,
"volume": 319.0203797190297,
"volume_molar": 9.1485030094126,
"formula_full": "Cu1 H12 I4 N4",
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},
{
"id": "jvasp-9287",
"created_at": "2022-09-04T14:37:34.857676Z",
"updated_at": "2022-09-04T14:37:34.857694Z",
"structure_string": "Mg4 Fe4 O8\n1.0\n2.864468 0.000072 0.008692\n1.429911 7.709655 0.048109\n1.407888 0.748005 7.850262\nMg Fe O\n4 4 8\ndirect\n0.668349 0.671509 0.971901 Mg\n0.315530 0.300287 0.048184 Mg\n0.422795 0.882257 0.252753 Mg\n0.561079 0.089541 0.767325 Mg\n0.934813 0.411875 0.697902 Fe\n0.311248 0.727408 0.630266 Fe\n0.672653 0.244389 0.389816 Fe\n0.049053 0.559917 0.322186 Fe\n0.679023 0.443373 0.178459 O\n0.099144 0.199152 0.581814 O\n0.884757 0.772643 0.438270 O\n0.304859 0.528423 0.841626 O\n0.936537 0.201502 0.904734 O\n0.690066 0.840003 0.760112 O\n0.047338 0.770296 0.115347 O\n0.293831 0.131793 0.259969 O\n",
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],
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"density_atomic": 0.09239116869810159,
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"formula_full": "Mg4 Fe4 O8",
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"formula_anonymous": "ABC2",
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"spacegroup": 12
},
{
"id": "jvasp-57178",
"created_at": "2022-09-04T14:37:35.148702Z",
"updated_at": "2022-09-04T14:37:35.148720Z",
"structure_string": "K1 Na1 Mg2 Si4 O10 F2\n1.0\n5.279737 0.008903 -0.491698\n-2.679157 4.549486 -0.491698\n-0.056589 -0.099192 10.203134\nK Na Mg Si O F\n1 1 2 4 10 2\ndirect\n0.500000 0.500000 -0.000000 K\n0.000000 0.000000 0.500000 Na\n0.333808 0.666193 0.500000 Mg\n0.666192 0.333808 0.500000 Mg\n0.748680 0.088541 0.777028 Si\n0.911459 0.251320 0.222971 Si\n0.088541 0.748681 0.777028 Si\n0.251320 0.911459 0.222971 Si\n0.936882 0.443850 0.843951 O\n0.322423 0.959668 0.382694 O\n0.063118 0.556150 0.156048 O\n0.677577 0.040333 0.617305 O\n0.050975 0.050975 0.165575 O\n0.949025 0.949026 0.834424 O\n0.556150 0.063118 0.156048 O\n0.443850 0.936883 0.843951 O\n0.040333 0.677577 0.617305 O\n0.959667 0.322423 0.382694 O\n0.593442 0.593442 0.389203 F\n0.406558 0.406558 0.610796 F\n",
"nsites": 20,
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"elements": [
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"Mg",
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],
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"density": 2.855851220679124,
"density_atomic": 0.08169632699128838,
"volume": 244.80904756137545,
"volume_molar": 7.371372718680689,
"formula_full": "K1 Na1 Mg2 Si4 O10 F2",
"formula_reduced": "KNaMg2Si4(O5F)2",
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"energy_above_hull": 1.93562275325,
"spacegroup": 12
}
]
}