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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_full&page=1128",
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"results": [
{
"id": "jvasp-30314",
"created_at": "2022-09-04T14:38:03.817290Z",
"updated_at": "2022-09-04T14:38:03.817309Z",
"structure_string": "Si6 Sb4 O18\n1.0\n6.920375 0.000001 -0.000008\n-3.460186 5.993225 -0.000008\n-0.000008 -0.000019 9.323547\nSi Sb O\n6 4 18\ndirect\n0.206877 0.926026 0.249999 Si\n0.073977 0.280847 0.250000 Si\n0.280849 0.206873 0.750000 Si\n0.719157 0.793126 0.250000 Si\n0.926029 0.719152 0.750000 Si\n0.793130 0.073973 0.750001 Si\n0.666671 0.333334 0.018465 Sb\n0.666669 0.333332 0.481536 Sb\n0.333336 0.666665 0.981536 Sb\n0.333337 0.666668 0.518465 Sb\n0.421571 0.325764 0.604827 O\n0.674238 0.095802 0.604828 O\n0.904200 0.578431 0.895172 O\n0.904201 0.578432 0.604826 O\n0.935572 0.752523 0.249999 O\n0.752526 0.816954 0.750000 O\n0.421569 0.325765 0.895174 O\n0.578437 0.674236 0.395174 O\n0.095806 0.421568 0.104827 O\n0.247481 0.183045 0.250000 O\n0.064435 0.247476 0.750001 O\n0.095806 0.421568 0.395174 O\n0.674239 0.095803 0.895174 O\n0.325768 0.904197 0.395172 O\n0.325768 0.904196 0.104826 O\n0.183047 0.935566 0.750000 O\n0.578436 0.674234 0.104827 O\n0.816960 0.064433 0.250000 O\n",
"nsites": 28,
"nelements": 3,
"elements": [
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"Sb",
"O"
],
"chemical_system": "O-Sb-Si",
"density": 4.051716169235759,
"density_atomic": 0.07240801129783697,
"volume": 386.6975421383578,
"volume_molar": 8.316953679654365,
"formula_full": "Si6 Sb4 O18",
"formula_reduced": "Si3Sb2O9",
"formula_anonymous": "A2B3C9",
"energy_above_hull": 2.85810425,
"spacegroup": 176
},
{
"id": "jvasp-23442",
"created_at": "2022-09-04T14:37:33.066514Z",
"updated_at": "2022-09-04T14:37:33.066526Z",
"structure_string": "Si6 Rh10\n1.0\n3.890519 0.000000 0.000000\n0.000000 5.409432 -0.000000\n0.000000 -0.000000 10.392398\nSi Rh\n6 10\ndirect\n0.500000 0.089716 0.656299 Si\n0.500000 0.910283 0.343701 Si\n0.500000 0.589716 0.843702 Si\n0.500000 0.410284 0.156299 Si\n0.000000 0.500000 0.500000 Si\n0.000000 0.000000 0.000000 Si\n0.500000 0.335784 0.391743 Rh\n0.500000 0.664216 0.608257 Rh\n0.500000 0.835784 0.108257 Rh\n0.500000 0.164216 0.891744 Rh\n0.000000 0.336615 0.711701 Rh\n0.000000 0.663385 0.288299 Rh\n0.000000 0.836615 0.788300 Rh\n0.000000 0.163385 0.211701 Rh\n0.000000 0.500000 0.000000 Rh\n0.000000 0.000000 0.500000 Rh\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Si",
"Rh"
],
"chemical_system": "Rh-Si",
"density": 9.092311438613155,
"density_atomic": 0.07315516691963544,
"volume": 218.71319106655565,
"volume_molar": 8.23201014169733,
"formula_full": "Si6 Rh10",
"formula_reduced": "Si3Rh5",
"formula_anonymous": "A3B5",
"energy_above_hull": 3.3926538500000003,
"spacegroup": 55
},
{
"id": "jvasp-58256",
"created_at": "2022-09-04T14:37:55.348236Z",
"updated_at": "2022-09-04T14:37:55.348252Z",
"structure_string": "Si6 Pt4\n1.0\n1.979914 -3.429312 0.000000\n1.979914 3.429312 -0.000000\n0.000000 0.000000 12.144553\nSi Pt\n6 4\ndirect\n0.333332 0.666666 0.433999 Si\n0.666666 0.333332 0.933998 Si\n0.666666 0.333332 0.566001 Si\n0.333332 0.666666 0.066001 Si\n0.000000 0.000000 0.750000 Si\n0.000000 0.000000 0.250000 Si\n0.333332 0.666666 0.636570 Pt\n0.666666 0.333332 0.136570 Pt\n0.666666 0.333332 0.363430 Pt\n0.333332 0.666666 0.863430 Pt\n",
"nsites": 10,
"nelements": 2,
"elements": [
"Si",
"Pt"
],
"chemical_system": "Pt-Si",
"density": 9.553914398811141,
"density_atomic": 0.06063664222496345,
"volume": 164.9167835332925,
"volume_molar": 9.931520841239376,
"formula_full": "Si6 Pt4",
"formula_reduced": "Si3Pt2",
"formula_anonymous": "A2B3",
"energy_above_hull": 3.03290772,
"spacegroup": 194
},
{
"id": "jvasp-39090",
"created_at": "2022-09-04T14:37:49.950852Z",
"updated_at": "2022-09-04T14:37:49.950884Z",
"structure_string": "Si6 Pt2\n1.0\n3.752567 -6.499637 0.000000\n3.752567 6.499637 0.000000\n0.000000 0.000000 2.743738\nSi Pt\n6 2\ndirect\n0.169235 0.338469 0.250000 Si\n0.661532 0.830766 0.250000 Si\n0.169235 0.830766 0.250000 Si\n0.830766 0.661532 0.750000 Si\n0.338469 0.169235 0.750000 Si\n0.830766 0.169235 0.750000 Si\n0.333333 0.666667 0.750000 Pt\n0.666667 0.333333 0.250000 Pt\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Si",
"Pt"
],
"chemical_system": "Pt-Si",
"density": 6.9314294640816305,
"density_atomic": 0.0597722763654194,
"volume": 133.84131384074763,
"volume_molar": 10.075140393153982,
"formula_full": "Si6 Pt2",
"formula_reduced": "Si3Pt",
"formula_anonymous": "AB3",
"energy_above_hull": 3.0095043,
"spacegroup": 194
},
{
"id": "jvasp-52128",
"created_at": "2022-09-04T14:37:10.417509Z",
"updated_at": "2022-09-04T14:37:10.417526Z",
"structure_string": "Si6 O6\n1.0\n2.260048 -3.914518 0.000000\n2.260048 3.914518 -0.000000\n0.000000 -0.000000 9.577221\nSi O\n6 6\ndirect\n0.500000 0.000000 0.274560 Si\n0.500000 0.000000 0.725440 Si\n0.000000 0.500000 0.058774 Si\n0.000000 0.500000 0.607893 Si\n0.500000 0.500000 0.941226 Si\n0.500000 0.500000 0.392107 Si\n0.336038 0.168020 0.833333 O\n0.831981 0.168020 0.166667 O\n0.831981 0.663963 0.500000 O\n0.168020 0.336038 0.500000 O\n0.168020 0.831981 0.166667 O\n0.663963 0.831981 0.833333 O\n",
"nsites": 12,
"nelements": 2,
"elements": [
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"O"
],
"chemical_system": "O-Si",
"density": 2.5919388163123096,
"density_atomic": 0.07081345494051093,
"volume": 169.459321114624,
"volume_molar": 8.504232373719216,
"formula_full": "Si6 O6",
"formula_reduced": "SiO",
"formula_anonymous": "AB",
"energy_above_hull": 0.9342410499999998,
"spacegroup": 181
},
{
"id": "jvasp-34188",
"created_at": "2022-09-04T14:37:09.018801Z",
"updated_at": "2022-09-04T14:37:09.018821Z",
"structure_string": "Si6 O6\n1.0\n2.260048 -3.914518 0.000000\n2.260048 3.914518 -0.000000\n-0.000000 -0.000000 9.577221\nSi O\n6 6\ndirect\n0.500000 0.000000 0.274560 Si\n0.500000 0.000000 0.725440 Si\n0.000000 0.500000 0.058774 Si\n0.000000 0.500000 0.607893 Si\n0.500000 0.500000 0.941226 Si\n0.500000 0.500000 0.392107 Si\n0.336038 0.168020 0.833333 O\n0.831981 0.168020 0.166667 O\n0.831981 0.663963 0.500000 O\n0.168020 0.336038 0.500000 O\n0.168020 0.831981 0.166667 O\n0.663963 0.831981 0.833333 O\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Si",
"O"
],
"chemical_system": "O-Si",
"density": 2.5919388163123096,
"density_atomic": 0.07081345494051093,
"volume": 169.459321114624,
"volume_molar": 8.504232373719216,
"formula_full": "Si6 O6",
"formula_reduced": "SiO",
"formula_anonymous": "AB",
"energy_above_hull": 0.9342410499999998,
"spacegroup": 181
},
{
"id": "jvasp-57511",
"created_at": "2022-09-04T14:37:18.963105Z",
"updated_at": "2022-09-04T14:37:18.963133Z",
"structure_string": "Si6 O12\n1.0\n7.667520 -0.005544 -3.770113\n-6.053468 4.705998 -3.770113\n-0.001904 -0.005545 8.544273\nSi O\n6 12\ndirect\n0.805878 0.805878 0.184593 Si\n0.194123 0.815409 0.194124 Si\n0.184593 0.805878 0.805878 Si\n0.815409 0.194124 0.194124 Si\n0.805879 0.184594 0.805879 Si\n0.194124 0.194124 0.815409 Si\n0.500001 0.000001 0.500001 O\n0.000000 0.822637 0.177366 O\n0.000001 0.000001 0.500000 O\n0.822637 0.000001 0.177366 O\n0.000000 0.500000 0.000000 O\n0.177365 0.822636 0.000001 O\n0.822637 0.177366 0.000001 O\n0.177366 0.000001 0.822637 O\n0.000001 0.500001 0.500001 O\n0.000001 0.177366 0.822637 O\n0.500000 0.500001 0.000001 O\n0.500000 0.000000 0.000000 O\n",
"nsites": 18,
"nelements": 2,
"elements": [
"Si",
"O"
],
"chemical_system": "O-Si",
"density": 1.9455215901214928,
"density_atomic": 0.058498833495835977,
"volume": 307.69844327376654,
"volume_molar": 10.294462983486095,
"formula_full": "Si6 O12",
"formula_reduced": "SiO2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.4741952000000005,
"spacegroup": 166
},
{
"id": "jvasp-57447",
"created_at": "2022-09-04T14:38:33.464340Z",
"updated_at": "2022-09-04T14:38:33.464351Z",
"structure_string": "Si6 O12\n1.0\n4.568097 0.000105 -0.821579\n-0.332101 4.695044 -1.845923\n-0.009359 -0.030966 6.846603\nSi O\n6 12\ndirect\n0.670742 0.691040 0.673335 Si\n0.329259 0.308957 0.326664 Si\n0.750000 0.356627 -0.000000 Si\n0.170741 0.982292 0.673335 Si\n0.250000 0.643371 0.000000 Si\n0.829259 0.017705 0.326664 Si\n0.539201 0.547935 0.850587 O\n0.317768 0.656199 0.517086 O\n0.539699 0.036543 0.818977 O\n0.182232 0.139113 0.482913 O\n0.682232 0.343798 0.482913 O\n0.960301 0.217565 0.181022 O\n0.960800 0.697348 0.149412 O\n0.039699 0.782432 0.818978 O\n0.039200 0.302650 0.850587 O\n0.460301 0.963454 0.181022 O\n0.817768 0.860884 0.517086 O\n0.460800 0.452062 0.149412 O\n",
"nsites": 18,
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"elements": [
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],
"chemical_system": "O-Si",
"density": 4.085220293068326,
"density_atomic": 0.12283627328087912,
"volume": 146.53651986690406,
"volume_molar": 4.902575272883516,
"formula_full": "Si6 O12",
"formula_reduced": "SiO2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.4443685333333338,
"spacegroup": 15
},
{
"id": "jvasp-51555",
"created_at": "2022-09-04T14:37:41.208876Z",
"updated_at": "2022-09-04T14:37:41.208896Z",
"structure_string": "Si6 O12\n1.0\n5.285219 0.000000 -0.000000\n0.000000 7.461275 0.000000\n0.000000 0.000000 8.223411\nSi O\n6 12\ndirect\n0.250000 0.213679 0.104086 Si\n0.750000 0.786321 0.895914 Si\n0.750000 0.213679 0.895914 Si\n0.250000 0.786321 0.104086 Si\n0.250000 0.500000 0.387231 Si\n0.750000 0.500000 0.612769 Si\n0.250000 0.679502 0.275192 O\n0.750000 0.320498 0.724808 O\n0.750000 0.679502 0.724808 O\n0.250000 0.320498 0.275192 O\n0.750000 0.000000 0.857465 O\n0.000000 0.731812 0.000000 O\n0.500000 0.268189 0.000000 O\n0.500000 0.500000 0.500000 O\n0.500000 0.731812 0.000000 O\n0.000000 0.268189 0.000000 O\n0.250000 0.000000 0.142535 O\n0.000000 0.500000 0.500000 O\n",
"nsites": 18,
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"elements": [
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"chemical_system": "O-Si",
"density": 1.8460069109094057,
"density_atomic": 0.05550658058063914,
"volume": 324.2858740658662,
"volume_molar": 10.849417667245998,
"formula_full": "Si6 O12",
"formula_reduced": "SiO2",
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"energy_above_hull": 1.401301866666667,
"spacegroup": 51
},
{
"id": "jvasp-22614",
"created_at": "2022-09-04T14:37:58.245264Z",
"updated_at": "2022-09-04T14:37:58.245288Z",
"structure_string": "Si6 O12\n1.0\n7.052401 -0.081213 -2.711535\n-3.923082 5.861091 -2.711535\n-0.043970 -0.081213 7.555585\nSi O\n6 12\ndirect\n0.202114 0.724790 0.925494 Si\n0.724790 0.925494 0.202114 Si\n0.797887 0.275211 0.074507 Si\n0.275211 0.074507 0.797887 Si\n0.925494 0.202114 0.724790 Si\n0.074506 0.797887 0.275211 Si\n0.760722 -0.004720 0.449852 O\n0.216279 0.852678 0.162258 O\n0.147322 0.837743 0.783721 O\n0.162257 0.216280 0.852678 O\n0.837743 0.783721 0.147323 O\n-0.004721 0.449852 0.760722 O\n0.449852 0.760722 -0.004720 O\n0.239279 0.004721 0.550148 O\n0.852678 0.162257 0.216280 O\n0.550148 0.239279 0.004722 O\n0.783721 0.147323 0.837744 O\n0.004721 0.550148 0.239279 O\n",
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"volume": 306.7756638022111,
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"formula_full": "Si6 O12",
"formula_reduced": "SiO2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.3995952000000005,
"spacegroup": 148
},
{
"id": "jvasp-91213",
"created_at": "2022-09-04T14:36:07.076526Z",
"updated_at": "2022-09-04T14:36:07.076544Z",
"structure_string": "Si6 O12\n1.0\n4.577211 -0.000000 1.611295\n1.817332 6.777340 2.144396\n-0.016873 0.047090 7.354828\nSi O\n6 12\ndirect\n0.037145 0.750000 0.250001 Si\n0.904498 0.818642 0.848713 Si\n0.571852 0.681358 0.651290 Si\n0.095501 0.181358 0.151289 Si\n0.428148 0.318642 0.348712 Si\n0.962855 0.250000 0.750001 Si\n0.732839 0.785681 0.430471 O\n0.948990 0.714319 0.069531 O\n0.371232 0.239547 0.181238 O\n0.705041 0.442565 0.680356 O\n0.207984 0.739547 0.681238 O\n0.051010 0.285681 0.930470 O\n0.267161 0.214319 0.569530 O\n0.172038 0.942565 0.180356 O\n0.294959 0.557435 0.319645 O\n0.827962 0.057435 0.819645 O\n0.628768 0.760453 0.818764 O\n0.792016 0.260453 0.318763 O\n",
"nsites": 18,
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"density": 2.625398921924023,
"density_atomic": 0.07894169623899669,
"volume": 228.01638243881712,
"volume_molar": 7.628593059069717,
"formula_full": "Si6 O12",
"formula_reduced": "SiO2",
"formula_anonymous": "AB2",
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"spacegroup": 15
},
{
"id": "jvasp-34330",
"created_at": "2022-09-04T14:36:38.554894Z",
"updated_at": "2022-09-04T14:36:38.554922Z",
"structure_string": "Si6 O12\n1.0\n3.684019 -6.380908 -0.000000\n3.684019 6.380908 0.000000\n0.000000 0.000000 7.072515\nSi O\n6 12\ndirect\n0.766943 0.533885 0.250000 Si\n0.233057 0.466116 0.750000 Si\n0.766943 0.233057 0.583333 Si\n0.533885 0.766943 0.416667 Si\n0.233057 0.766943 0.083333 Si\n0.466116 0.233057 0.916666 Si\n0.612396 0.387604 0.083333 O\n0.683061 -0.000000 0.500000 O\n0.316939 0.316939 0.833332 O\n0.612396 0.224793 0.750000 O\n0.387604 0.612396 0.583333 O\n0.387604 0.775207 0.250000 O\n-0.000000 0.683061 0.166667 O\n0.775207 0.387604 0.416667 O\n0.316939 -0.000000 0.000000 O\n0.224793 0.612396 0.916666 O\n-0.000000 0.316939 0.666667 O\n0.683061 0.683061 0.333333 O\n",
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"elements": [
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"density": 1.8003342200833796,
"density_atomic": 0.05413327321180565,
"volume": 332.5126845659588,
"volume_molar": 11.124656616342687,
"formula_full": "Si6 O12",
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"formula_anonymous": "AB2",
"energy_above_hull": 1.4027052000000002,
"spacegroup": 179
}
]
}