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{
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"results": [
{
"id": "jvasp-42925",
"created_at": "2022-09-04T14:37:28.276218Z",
"updated_at": "2022-09-04T14:37:28.276246Z",
"structure_string": "Na12 Mn4 O12\n1.0\n0.000000 5.984912 0.012445\n10.764406 0.000000 0.000000\n0.000000 -0.192165 -5.962460\nNa Mn O\n12 4 12\ndirect\n0.904361 0.775586 0.052055 Na\n0.853835 0.002805 0.353457 Na\n0.980640 0.280093 0.497504 Na\n0.404361 0.724415 0.052054 Na\n0.519358 0.780093 0.502497 Na\n0.353835 0.497195 0.353457 Na\n0.646164 0.502805 0.646544 Na\n0.480640 0.219907 0.497504 Na\n0.595638 0.275586 0.947946 Na\n0.019359 0.719908 0.502496 Na\n0.146164 0.997195 0.646544 Na\n0.095638 0.224414 0.947946 Na\n0.170566 0.501461 0.834845 Mn\n0.670565 0.998540 0.834845 Mn\n0.329433 0.001461 0.165155 Mn\n0.829433 0.498539 0.165156 Mn\n0.603196 0.911449 0.109702 O\n0.675387 0.370655 0.296864 O\n0.693999 0.628447 0.307680 O\n0.806000 0.128447 0.692321 O\n0.824612 0.870656 0.703137 O\n0.896803 0.411449 0.890299 O\n0.103196 0.588552 0.109702 O\n0.175387 0.129345 0.296864 O\n0.193999 0.871554 0.307680 O\n0.306000 0.371553 0.692321 O\n0.324612 0.629345 0.703136 O\n0.396803 0.088551 0.890299 O\n",
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],
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"density_atomic": 0.0728976990199768,
"volume": 384.099915037468,
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"formula_full": "Na12 Mn4 O12",
"formula_reduced": "Na3MnO3",
"formula_anonymous": "AB3C3",
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"spacegroup": 14
},
{
"id": "jvasp-42365",
"created_at": "2022-09-04T14:37:28.850304Z",
"updated_at": "2022-09-04T14:37:28.850322Z",
"structure_string": "Co8 O4 F12\n1.0\n0.000000 5.499053 -0.021506\n4.600737 0.000000 0.000000\n0.000000 -1.108969 -10.272060\nCo O F\n8 4 12\ndirect\n0.500000 0.500000 0.000000 Co\n-0.000000 0.500000 0.500000 Co\n0.741302 0.534473 0.727444 Co\n0.258698 0.465528 0.272556 Co\n0.258698 0.034472 0.772556 Co\n0.500000 0.000000 0.500000 Co\n0.741302 0.965528 0.227444 Co\n0.000000 0.000000 0.000000 Co\n0.279822 0.282373 0.435037 O\n0.279822 0.217627 0.935037 O\n0.720178 0.782374 0.064964 O\n0.720178 0.717627 0.564964 O\n0.527866 0.201236 0.676285 F\n0.472133 0.798764 0.323715 F\n0.232760 0.804006 0.585821 F\n0.976992 0.796401 0.825846 F\n0.472133 0.701237 0.823715 F\n0.232760 0.695995 0.085821 F\n0.976992 0.703600 0.325846 F\n0.767239 0.304006 0.914180 F\n0.023007 0.296400 0.674154 F\n0.527866 0.298764 0.176285 F\n0.023007 0.203600 0.174154 F\n0.767239 0.195994 0.414180 F\n",
"nsites": 24,
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"elements": [
"Co",
"O",
"F"
],
"chemical_system": "Co-F-O",
"density": 4.876071837955839,
"density_atomic": 0.09231133977836407,
"volume": 259.9897266968832,
"volume_molar": 6.52372804301067,
"formula_full": "Co8 O4 F12",
"formula_reduced": "Co2OF3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 1.3155976912500005,
"spacegroup": 14
},
{
"id": "jvasp-57041",
"created_at": "2022-09-04T14:37:28.443842Z",
"updated_at": "2022-09-04T14:37:28.443863Z",
"structure_string": "Mg6 P4 O16\n1.0\n0.000000 5.918580 0.031073\n4.765563 0.000000 0.000000\n0.000000 -0.112217 -10.248971\nMg P O\n6 4 16\ndirect\n0.761567 0.513361 0.223156 Mg\n0.238433 0.013361 0.276844 Mg\n0.761567 0.986638 0.723156 Mg\n0.500000 0.000000 0.000000 Mg\n0.238432 0.486638 0.776844 Mg\n0.500000 0.500000 0.500000 Mg\n0.254703 0.575579 0.096414 P\n0.745297 0.075580 0.403587 P\n0.254703 0.924420 0.596414 P\n0.745297 0.424420 0.903587 P\n0.744292 0.188302 0.545222 O\n0.467482 0.769189 0.661455 O\n0.467482 0.730810 0.161455 O\n0.274092 0.245375 0.603587 O\n0.532517 0.269190 0.838546 O\n0.942593 0.192153 0.323664 O\n0.744292 0.311698 0.045222 O\n0.274092 0.254624 0.103587 O\n0.057407 0.692153 0.176336 O\n0.057406 0.807846 0.676336 O\n0.532518 0.230810 0.338546 O\n0.725907 0.754624 0.396413 O\n0.255708 0.688302 0.954778 O\n0.725907 0.745375 0.896413 O\n0.942593 0.307846 0.823664 O\n0.255708 0.811698 0.454778 O\n",
"nsites": 26,
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"elements": [
"Mg",
"P",
"O"
],
"chemical_system": "Mg-O-P",
"density": 3.0200407296059457,
"density_atomic": 0.08994692313160535,
"volume": 289.05935961765186,
"volume_molar": 6.695215967742152,
"formula_full": "Mg6 P4 O16",
"formula_reduced": "Mg3(PO4)2",
"formula_anonymous": "A2B3C8",
"energy_above_hull": 1.9282173961538456,
"spacegroup": 14
},
{
"id": "jvasp-42974",
"created_at": "2022-09-04T14:37:28.451456Z",
"updated_at": "2022-09-04T14:37:28.451480Z",
"structure_string": "Li2 V4 Si4 O16\n1.0\n0.000000 4.797788 -0.000503\n10.049004 0.000000 0.000000\n0.000000 -0.012266 -5.725301\nLi V Si O\n2 4 4 16\ndirect\n0.749928 0.701959 0.250353 Li\n0.250071 0.201959 0.749647 Li\n0.252289 0.467362 0.008962 V\n0.247734 0.936189 0.491083 V\n0.752265 0.436190 0.508917 V\n0.747711 0.967362 0.991037 V\n0.189705 0.794246 0.991978 Si\n0.310256 0.609286 0.508087 Si\n0.810295 0.294246 0.008021 Si\n0.689743 0.109286 0.491913 Si\n0.974794 0.594231 0.495040 O\n0.975800 0.372599 0.787670 O\n0.034441 0.881795 0.780327 O\n0.465575 0.521748 0.719717 O\n0.524293 0.030898 0.712263 O\n0.585277 0.263348 0.500801 O\n0.025205 0.094232 0.504959 O\n0.024199 0.872598 0.212329 O\n0.475707 0.530898 0.287737 O\n0.534424 0.021748 0.280283 O\n0.965558 0.381795 0.219673 O\n0.914649 0.140171 0.999219 O\n0.085351 0.640170 0.000781 O\n0.474837 0.309337 0.994978 O\n0.414722 0.763348 0.499198 O\n0.525163 0.809337 0.005022 O\n",
"nsites": 26,
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"elements": [
"Li",
"V",
"Si",
"O"
],
"chemical_system": "Li-O-Si-V",
"density": 3.525085805371504,
"density_atomic": 0.09419131354519601,
"volume": 276.0339464586017,
"volume_molar": 6.393520308123088,
"formula_full": "Li2 V4 Si4 O16",
"formula_reduced": "LiV2(SiO4)2",
"formula_anonymous": "AB2C2D8",
"energy_above_hull": 3.1036587384615384,
"spacegroup": 14
},
{
"id": "jvasp-51049",
"created_at": "2022-09-04T14:37:28.626447Z",
"updated_at": "2022-09-04T14:37:28.626474Z",
"structure_string": "Na4 C8 N12\n1.0\n0.000000 3.495988 -0.042338\n15.186007 0.000000 0.000000\n0.000000 -3.076513 -6.243702\nNa C N\n4 8 12\ndirect\n0.371464 0.912400 0.634787 Na\n0.628538 0.087600 0.365213 Na\n0.628538 0.412400 0.865213 Na\n0.371463 0.587600 0.134787 Na\n0.898645 0.582297 0.653119 C\n0.228929 0.272339 0.458717 C\n0.771073 0.772339 0.041284 C\n0.771073 0.727661 0.541283 C\n0.101356 0.417703 0.346881 C\n0.228929 0.227661 0.958716 C\n0.101356 0.082297 0.846880 C\n0.898645 0.917703 0.153120 C\n0.711519 0.856626 0.015404 N\n0.951973 0.020980 0.735159 N\n0.202210 0.305047 0.954790 N\n0.711519 0.643374 0.515404 N\n0.797792 0.805047 0.545210 N\n0.048028 0.979020 0.264841 N\n0.202210 0.194953 0.454790 N\n0.797791 0.694954 0.045210 N\n0.288483 0.356626 0.484596 N\n0.288483 0.143374 0.984596 N\n0.951973 0.479020 0.235159 N\n0.048028 0.520980 0.764841 N\n",
"nsites": 24,
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"elements": [
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"C",
"N"
],
"chemical_system": "C-N-Na",
"density": 1.7734220312099922,
"density_atomic": 0.07197334502062304,
"volume": 333.45678171721914,
"volume_molar": 8.367181986990367,
"formula_full": "Na4 C8 N12",
"formula_reduced": "NaC2N3",
"formula_anonymous": "AB2C3",
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"spacegroup": 14
},
{
"id": "jvasp-43312",
"created_at": "2022-09-04T14:37:28.685748Z",
"updated_at": "2022-09-04T14:37:28.685779Z",
"structure_string": "Na12 V4 O12\n1.0\n0.000000 6.053579 0.029461\n10.628820 0.000000 0.000000\n0.000000 -0.162715 -6.034265\nNa V O\n12 4 12\ndirect\n0.914930 0.221214 0.967798 Na\n0.851024 0.993687 0.653443 Na\n0.985758 0.711700 0.481763 Na\n0.414930 0.278786 0.967798 Na\n0.514243 0.211700 0.518238 Na\n0.351024 0.506312 0.653443 Na\n0.648977 0.493687 0.346558 Na\n0.485758 0.788300 0.481763 Na\n0.585071 0.721214 0.032203 Na\n0.014243 0.288300 0.518238 Na\n0.148976 0.006312 0.346558 Na\n0.085071 0.778786 0.032203 Na\n0.166243 0.496198 0.171086 V\n0.666243 0.003802 0.171086 V\n0.333758 0.996198 0.828915 V\n0.833758 0.503802 0.828915 V\n0.612235 0.084458 0.890940 O\n0.689688 0.632059 0.685880 O\n0.681941 0.369361 0.723534 O\n0.818061 0.869361 0.276467 O\n0.810314 0.132059 0.314121 O\n0.887766 0.584458 0.109061 O\n0.112235 0.415542 0.890940 O\n0.189687 0.867941 0.685880 O\n0.181940 0.130639 0.723534 O\n0.318060 0.630639 0.276467 O\n0.310313 0.367941 0.314121 O\n0.387766 0.915542 0.109061 O\n",
"nsites": 28,
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"elements": [
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"V",
"O"
],
"chemical_system": "Na-O-V",
"density": 2.8728862832597932,
"density_atomic": 0.07212625498573595,
"volume": 388.208149799784,
"volume_molar": 8.349443293833804,
"formula_full": "Na12 V4 O12",
"formula_reduced": "Na3VO3",
"formula_anonymous": "AB3C3",
"energy_above_hull": 1.2708788142857146,
"spacegroup": 14
},
{
"id": "jvasp-12002",
"created_at": "2022-09-04T14:37:28.693442Z",
"updated_at": "2022-09-04T14:37:28.693471Z",
"structure_string": "Cu4 H4 O4 F4\n1.0\n5.086967 -0.058402 0.000000\n-2.150612 4.919429 0.000000\n0.000000 0.000000 6.411602\nCu H O F\n4 4 4 4\ndirect\n0.989656 0.758709 0.379423 Cu\n0.010345 0.741291 0.879423 Cu\n0.010345 0.241291 0.620576 Cu\n0.989656 0.258709 0.120576 Cu\n0.391363 0.752675 0.136267 H\n0.608638 0.747325 0.636267 H\n0.608638 0.247325 0.863733 H\n0.391363 0.252675 0.363733 H\n0.172618 0.164658 0.360808 O\n0.827383 0.335342 0.860808 O\n0.827383 0.835342 0.639191 O\n0.172618 0.664658 0.139192 O\n0.721203 0.369017 0.388464 F\n0.278797 0.130983 0.888464 F\n0.278798 0.630983 0.611535 F\n0.721204 0.869017 0.111535 F\n",
"nsites": 16,
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"elements": [
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"density": 4.141932262915089,
"density_atomic": 0.10022245040619186,
"volume": 159.6448693396894,
"volume_molar": 6.008774217346361,
"formula_full": "Cu4 H4 O4 F4",
"formula_reduced": "CuHOF",
"formula_anonymous": "ABCD",
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"spacegroup": 14
},
{
"id": "jvasp-30216",
"created_at": "2022-09-04T14:37:28.748173Z",
"updated_at": "2022-09-04T14:37:28.748197Z",
"structure_string": "Sb16 Cl4 O22\n1.0\n15.269649 0.000000 12.090232\n0.000000 4.174292 0.000000\n-2.517010 0.000000 10.682779\nSb Cl O\n16 4 22\ndirect\n0.976128 0.679251 0.712609 Sb\n0.023872 0.320749 0.287391 Sb\n0.737897 0.017533 0.125782 Sb\n0.762103 0.517533 0.374218 Sb\n0.777676 0.539723 0.865904 Sb\n0.722324 0.039723 0.634096 Sb\n0.572427 0.322181 0.375903 Sb\n0.476128 0.820749 0.212609 Sb\n0.927573 0.822181 0.124097 Sb\n0.427573 0.677818 0.624097 Sb\n0.277676 0.960276 0.365904 Sb\n0.222324 0.460276 0.134096 Sb\n0.237897 0.482467 0.625782 Sb\n0.262103 0.982467 0.874218 Sb\n0.523872 0.179251 0.787391 Sb\n0.072427 0.177819 0.875903 Sb\n0.597235 0.529122 0.891109 Cl\n0.902765 0.029122 0.608891 Cl\n0.097235 0.970878 0.391109 Cl\n0.402765 0.470878 0.108891 Cl\n0.500000 0.000000 0.500000 O\n0.729487 0.531647 0.073513 O\n0.879466 0.587676 0.870820 O\n0.743473 0.536089 0.567898 O\n0.770513 0.031647 0.426486 O\n0.624532 0.994186 0.232237 O\n0.499711 0.428299 0.295784 O\n0.756527 0.036089 0.932102 O\n0.620534 0.087676 0.629180 O\n0.379466 0.912323 0.370820 O\n-0.000289 0.071701 0.795784 O\n0.500289 0.571701 0.704216 O\n0.375468 0.005813 0.767763 O\n0.229487 0.968352 0.573514 O\n0.256527 0.463911 0.432102 O\n0.120534 0.412323 0.129180 O\n0.000000 0.500000 0.000000 O\n0.270513 0.468352 0.926487 O\n0.124532 0.505813 0.732237 O\n0.875468 0.494186 0.267763 O\n0.243473 0.963910 0.067898 O\n0.000289 0.928299 0.204216 O\n",
"nsites": 42,
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"elements": [
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],
"chemical_system": "Cl-O-Sb",
"density": 5.018842063879632,
"density_atomic": 0.05198348479901253,
"volume": 807.9489122821913,
"volume_molar": 11.584719230124403,
"formula_full": "Sb16 Cl4 O22",
"formula_reduced": "Sb8Cl2O11",
"formula_anonymous": "A2B8C11",
"energy_above_hull": 2.327404544523809,
"spacegroup": 14
},
{
"id": "jvasp-4264",
"created_at": "2022-09-04T14:37:28.911678Z",
"updated_at": "2022-09-04T14:37:28.911734Z",
"structure_string": "Al4 Br12\n1.0\n0.000000 7.484806 -0.111218\n6.893358 0.000000 0.000000\n0.000000 -1.325558 -9.978995\nAl Br\n4 12\ndirect\n0.702299 0.096103 0.049604 Al\n0.297702 0.596103 0.450396 Al\n0.297702 0.903897 0.950396 Al\n0.702298 0.403897 0.549604 Al\n0.911650 0.911344 0.169782 Br\n0.088351 0.411344 0.330219 Br\n0.088351 0.088656 0.830219 Br\n0.911650 0.588656 0.669782 Br\n0.751132 0.410599 0.005725 Br\n0.248869 0.910599 0.494276 Br\n0.248868 0.589401 0.994276 Br\n0.751132 0.089401 0.505725 Br\n0.421905 0.071330 0.153474 Br\n0.578096 0.571330 0.346526 Br\n0.578096 0.928670 0.846526 Br\n0.421905 0.428670 0.653474 Br\n",
"nsites": 16,
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"elements": [
"Al",
"Br"
],
"chemical_system": "Al-Br",
"density": 3.4337369623570537,
"density_atomic": 0.031014545662899726,
"volume": 515.8869703882056,
"volume_molar": 19.41714969954829,
"formula_full": "Al4 Br12",
"formula_reduced": "AlBr3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.07416877875,
"spacegroup": 14
},
{
"id": "jvasp-9104",
"created_at": "2022-09-04T14:37:29.003977Z",
"updated_at": "2022-09-04T14:37:29.004002Z",
"structure_string": "Rb4 O12\n1.0\n0.000000 6.387447 -0.078730\n5.925139 0.000000 0.000000\n0.000000 -4.733867 -7.361872\nRb O\n4 12\ndirect\n0.228233 0.747055 0.585572 Rb\n0.771766 0.247055 0.914428 Rb\n0.771767 0.252945 0.414428 Rb\n0.228233 0.752945 0.085572 Rb\n0.094992 0.435924 0.787703 O\n0.905008 0.935924 0.712296 O\n0.905008 0.564077 0.212296 O\n0.094992 0.064076 0.287704 O\n0.284664 0.212264 0.385739 O\n0.715336 0.712264 0.114260 O\n0.715336 0.787736 0.614260 O\n0.284664 0.287736 0.885739 O\n0.326010 0.255713 0.553897 O\n0.673989 0.755713 0.946103 O\n0.673990 0.744287 0.446103 O\n0.326010 0.244287 0.053897 O\n",
"nsites": 16,
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"elements": [
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],
"chemical_system": "O-Rb",
"density": 3.156727367433233,
"density_atomic": 0.05697408045253984,
"volume": 280.82945565621213,
"volume_molar": 10.569965696974299,
"formula_full": "Rb4 O12",
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"energy_above_hull": 1.4739634375,
"spacegroup": 14
},
{
"id": "jvasp-29801",
"created_at": "2022-09-04T14:37:29.069549Z",
"updated_at": "2022-09-04T14:37:29.069579Z",
"structure_string": "Te2 H4 O8\n1.0\n5.284627 0.000000 -2.689460\n0.000000 4.914617 0.000000\n0.016334 0.000000 5.279042\nTe H O\n2 4 8\ndirect\n-0.000000 0.500000 0.500000 Te\n0.000000 0.000000 0.000000 Te\n0.398089 0.259016 0.806912 H\n0.601910 0.759017 0.693087 H\n0.601911 0.740984 0.193087 H\n0.398089 0.240984 0.306912 H\n0.341284 0.362290 0.626205 O\n0.658715 0.862290 0.873794 O\n0.658716 0.637711 0.373795 O\n0.341284 0.137710 0.126205 O\n0.883606 0.182805 0.634526 O\n0.116393 0.682806 0.865473 O\n0.116393 0.817195 0.365473 O\n0.883607 0.317195 0.134527 O\n",
"nsites": 14,
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"elements": [
"Te",
"H",
"O"
],
"chemical_system": "H-O-Te",
"density": 4.682439972272784,
"density_atomic": 0.10194961030665506,
"volume": 137.32274167492437,
"volume_molar": 5.906977713682234,
"formula_full": "Te2 H4 O8",
"formula_reduced": "Te(HO2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 2.4235573952380944,
"spacegroup": 14
},
{
"id": "jvasp-42536",
"created_at": "2022-09-04T14:37:29.155878Z",
"updated_at": "2022-09-04T14:37:29.155900Z",
"structure_string": "Li4 Fe2 F8\n1.0\n0.000000 5.346605 -0.111069\n5.242500 0.000000 0.000000\n0.000000 -2.553721 -5.240916\nLi Fe F\n4 2 8\ndirect\n0.371160 0.637533 0.843061 Li\n0.128757 0.707813 0.156910 Li\n0.871244 0.207813 0.843091 Li\n0.628841 0.137533 0.156940 Li\n0.250035 0.172695 0.500030 Fe\n0.749966 0.672695 0.499971 Fe\n0.981256 0.013470 0.627573 F\n0.021556 0.531872 0.849623 F\n0.521642 0.313541 0.849650 F\n0.481362 0.831956 0.627711 F\n0.518639 0.331956 0.372290 F\n0.478359 0.813541 0.150351 F\n0.978445 0.031872 0.150378 F\n0.018746 0.513470 0.372428 F\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Li",
"Fe",
"F"
],
"chemical_system": "F-Fe-Li",
"density": 3.261387232274436,
"density_atomic": 0.09434748338285587,
"volume": 148.38763576966778,
"volume_molar": 6.382937354632503,
"formula_full": "Li4 Fe2 F8",
"formula_reduced": "Li2FeF4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 0.3132552328571428,
"spacegroup": 14
}
]
}