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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=spacegroup&page=313",
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"results": [
{
"id": "jvasp-120000",
"created_at": "2022-09-04T14:38:52.602394Z",
"updated_at": "2022-09-04T14:38:52.602411Z",
"structure_string": "Bi1 O3\n1.0\n3.882863 0.139239 0.796281\n0.828400 -4.837596 1.141127\n-1.621411 1.022611 -3.491008\nBi O\n1 3\ndirect\n0.478505 0.708454 0.477045 Bi\n0.185136 0.813610 0.876454 O\n0.806531 0.377480 0.819359 O\n0.594859 0.265365 -0.081938 O\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Bi",
"O"
],
"chemical_system": "Bi-O",
"density": 7.672543792315297,
"density_atomic": 0.0719206015139851,
"volume": 55.616887453620535,
"volume_molar": 8.37331812196952,
"formula_full": "Bi1 O3",
"formula_reduced": "BiO3",
"formula_anonymous": "AB3",
"energy_above_hull": 1.8472962000000004,
"spacegroup": 8
},
{
"id": "jvasp-120422",
"created_at": "2022-09-04T14:38:52.807372Z",
"updated_at": "2022-09-04T14:38:52.807402Z",
"structure_string": "Li8 Mn2 Co4 O14\n1.0\n4.957778 -0.008550 0.576966\n4.154977 2.704774 0.576966\n-0.012305 -0.003641 17.490970\nLi Mn Co O\n8 2 4 14\ndirect\n0.294476 0.294475 0.931293 Li\n0.856587 0.856584 0.776304 Li\n0.408868 0.408867 0.625283 Li\n-0.002956 -0.002956 0.501135 Li\n0.567312 0.567310 0.360931 Li\n0.142039 0.142038 0.220227 Li\n0.720151 0.720149 0.078668 Li\n0.710123 0.710121 0.562205 Li\n0.007409 0.007409 0.006073 Mn\n0.580143 0.580141 0.860400 Mn\n0.856428 0.856425 0.285134 Co\n0.431355 0.431354 0.145578 Co\n0.132729 0.132728 0.697572 Co\n0.282802 0.282800 0.427639 Co\n0.063141 0.063140 0.108562 O\n0.374452 0.374451 0.040922 O\n0.948737 0.948734 0.903614 O\n0.514286 0.514284 0.765326 O\n0.058536 0.058536 0.608816 O\n0.656171 0.656168 0.454969 O\n0.229593 0.229592 0.320158 O\n0.804147 0.804144 0.180642 O\n0.208656 0.208655 0.834073 O\n0.770808 0.770805 0.680605 O\n0.350069 0.350068 0.520635 O\n0.910659 0.910656 0.385868 O\n0.485125 0.485123 0.247137 O\n0.638189 0.638187 0.970239 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.413658405744303,
"density_atomic": 0.11905245996295337,
"volume": 235.19043628928804,
"volume_molar": 5.058392545499658,
"formula_full": "Li8 Mn2 Co4 O14",
"formula_reduced": "Li4MnCo2O7",
"formula_anonymous": "AB2C4D7",
"energy_above_hull": 2.5594952529556654,
"spacegroup": 8
},
{
"id": "jvasp-120335",
"created_at": "2022-09-04T14:38:52.905002Z",
"updated_at": "2022-09-04T14:38:52.905028Z",
"structure_string": "Mg2 Se2\n1.0\n4.321654 -0.005553 1.090705\n2.817202 -6.391607 -1.957924\n-1.480150 2.284258 -3.128889\nMg Se\n2 2\ndirect\n0.132305 0.068110 0.192047 Mg\n0.632479 0.568147 -0.307168 Mg\n0.007014 0.454273 0.323443 Se\n0.506832 0.954219 0.822653 Se\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Mg",
"Se"
],
"chemical_system": "Mg-Se",
"density": 3.3494408866681256,
"density_atomic": 0.03906610079656275,
"volume": 102.39056159789415,
"volume_molar": 15.415259360949229,
"formula_full": "Mg2 Se2",
"formula_reduced": "MgSe",
"formula_anonymous": "AB",
"energy_above_hull": 0.0141949999999999,
"spacegroup": 8
},
{
"id": "jvasp-118726",
"created_at": "2022-09-04T14:38:53.596374Z",
"updated_at": "2022-09-04T14:38:53.596406Z",
"structure_string": "Mg1 Ta1 O3\n1.0\n2.772973 -2.947920 0.037861\n2.772973 2.947920 0.037861\n-0.708743 0.000000 3.961454\nMg Ta O\n1 1 3\ndirect\n0.474591 0.474591 0.680465 Mg\n0.030764 0.030764 0.949566 Ta\n0.531467 0.018549 0.909181 O\n0.018549 0.531467 0.909181 O\n0.057988 0.057988 0.438253 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Mg",
"Ta",
"O"
],
"chemical_system": "Mg-O-Ta",
"density": 6.477312839670688,
"density_atomic": 0.07701307666789078,
"volume": 64.9240390896454,
"volume_molar": 7.819634042111739,
"formula_full": "Mg1 Ta1 O3",
"formula_reduced": "MgTaO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.27639575,
"spacegroup": 8
},
{
"id": "jvasp-119138",
"created_at": "2022-09-04T14:38:53.073856Z",
"updated_at": "2022-09-04T14:38:53.073882Z",
"structure_string": "Tb2 Ti2 Fe22 H1\n1.0\n4.692073 -0.000000 -0.000000\n-2.346036 5.929125 -0.007380\n-0.000000 -0.001591 11.856947\nTb Ti Fe H\n2 2 22 1\ndirect\n0.002868 0.005736 0.002763 Tb\n0.502652 0.005306 0.502779 Tb\n0.312908 0.625818 0.313914 Ti\n0.814405 0.628813 0.813427 Ti\n0.175925 0.351852 0.176155 Fe\n0.322756 0.645513 0.679275 Fe\n0.821079 0.642160 0.178888 Fe\n0.179874 0.359750 0.822079 Fe\n0.678230 0.356462 0.321717 Fe\n0.500236 0.501178 0.001180 Fe\n-0.000210 0.500763 0.501432 Fe\n0.000941 0.501178 0.001180 Fe\n0.500973 0.500763 0.501432 Fe\n0.252082 0.003789 0.749564 Fe\n0.751707 0.003789 0.749564 Fe\n0.676720 0.353441 0.676576 Fe\n0.250015 0.001423 0.251407 Fe\n0.116967 0.233934 0.616179 Fe\n0.614560 0.229121 0.115324 Fe\n0.387126 0.774254 0.886222 Fe\n0.885301 0.770603 0.386174 Fe\n0.610278 0.220557 0.888786 Fe\n0.108701 0.217404 0.391178 Fe\n0.890840 0.781683 0.608738 Fe\n0.389109 0.778219 0.110290 Fe\n0.751407 0.001423 0.251407 Fe\n0.502539 0.005078 0.002367 H\n",
"nsites": 27,
"nelements": 4,
"elements": [
"Tb",
"Ti",
"Fe",
"H"
],
"chemical_system": "Fe-H-Tb-Ti",
"density": 8.271928325665284,
"density_atomic": 0.081853186586554,
"volume": 329.8588744794853,
"volume_molar": 7.357246566854194,
"formula_full": "Tb2 Ti2 Fe22 H1",
"formula_reduced": "Tb2Ti2Fe22H",
"formula_anonymous": "AB2C2D22",
"energy_above_hull": 4.203098683950617,
"spacegroup": 8
},
{
"id": "jvasp-117510",
"created_at": "2022-09-04T14:38:53.081799Z",
"updated_at": "2022-09-04T14:38:53.081823Z",
"structure_string": "B3 Se1\n1.0\n3.206971 0.213475 -0.313636\n2.594817 -5.320563 -0.118506\n1.308966 -0.245294 -2.871864\nB Se\n3 1\ndirect\n0.049604 0.031462 0.120991 B\n0.744010 0.445681 0.566698 B\n-0.044225 0.133680 0.616773 B\n0.307427 0.620445 0.197936 Se\n",
"nsites": 4,
"nelements": 2,
"elements": [
"B",
"Se"
],
"chemical_system": "B-Se",
"density": 3.81527239794303,
"density_atomic": 0.08250467238011622,
"volume": 48.48210270530094,
"volume_molar": 7.299151170802475,
"formula_full": "B3 Se1",
"formula_reduced": "B3Se",
"formula_anonymous": "AB3",
"energy_above_hull": 3.7929402791666655,
"spacegroup": 8
},
{
"id": "jvasp-120732",
"created_at": "2022-09-04T14:38:53.194381Z",
"updated_at": "2022-09-04T14:38:53.194414Z",
"structure_string": "Y4 Fe1 S7\n1.0\n6.266710 -0.011021 1.584214\n5.126527 3.604234 1.584214\n0.054726 0.017260 11.394068\nY Fe S\n4 1 7\ndirect\n0.691631 0.691629 0.212934 Y\n0.304953 0.304952 0.800228 Y\n0.997476 0.997474 0.007497 Y\n0.113161 0.113160 0.563111 Y\n0.888624 0.888622 0.424370 Fe\n0.747172 0.747171 0.635404 S\n0.274280 0.274279 0.353856 S\n0.335057 0.335057 0.053972 S\n0.658708 0.658706 0.947446 S\n0.030101 0.030101 0.229147 S\n0.964349 0.964347 0.783695 S\n0.494498 0.494497 0.488338 S\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Y",
"Fe",
"S"
],
"chemical_system": "Fe-S-Y",
"density": 4.09843442124458,
"density_atomic": 0.04657419240536205,
"volume": 257.653420923697,
"volume_molar": 12.93020973415027,
"formula_full": "Y4 Fe1 S7",
"formula_reduced": "Y4FeS7",
"formula_anonymous": "AB4C7",
"energy_above_hull": 2.722168941666667,
"spacegroup": 8
},
{
"id": "jvasp-118627",
"created_at": "2022-09-04T14:38:53.339228Z",
"updated_at": "2022-09-04T14:38:53.339258Z",
"structure_string": "Li1 O3\n1.0\n2.737723 -0.114957 0.534342\n-0.172867 -5.222087 -0.172366\n-0.932763 -2.386261 -2.803775\nLi O\n1 3\ndirect\n-0.030944 0.089233 0.894645 Li\n-0.031764 0.584776 0.892875 O\n0.195041 0.506726 0.349465 O\n0.749837 0.953595 0.456259 O\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Li",
"O"
],
"chemical_system": "Li-O",
"density": 2.4916772800085987,
"density_atomic": 0.1092497256158896,
"volume": 36.6133642665939,
"volume_molar": 5.512270832764566,
"formula_full": "Li1 O3",
"formula_reduced": "LiO3",
"formula_anonymous": "AB3",
"energy_above_hull": 1.7930101250000003,
"spacegroup": 8
},
{
"id": "jvasp-120596",
"created_at": "2022-09-04T14:38:53.582537Z",
"updated_at": "2022-09-04T14:38:53.582563Z",
"structure_string": "Li4 Nb2 Ni3 Sn3 O16\n1.0\n6.089798 -0.007593 0.087547\n3.016841 5.290026 0.087547\n0.020723 0.012020 9.760862\nLi Nb Ni Sn O\n4 2 3 3 16\ndirect\n0.676621 0.676623 0.897674 Li\n0.982477 0.982479 0.985562 Li\n0.991359 0.991362 0.499656 Li\n0.332831 0.332832 0.406835 Li\n0.674843 0.674844 0.500135 Nb\n0.351551 0.351552 0.977979 Nb\n0.829266 0.829268 0.214456 Ni\n0.661198 0.171255 0.712460 Ni\n0.171254 0.661199 0.712460 Ni\n0.170410 0.170411 0.715924 Sn\n0.832895 0.337717 0.214177 Sn\n0.337715 0.832896 0.214177 Sn\n0.161261 0.161262 0.091437 O\n0.663498 0.169718 0.092833 O\n0.336747 0.336748 0.608772 O\n0.039044 0.480855 0.851042 O\n0.480854 0.039045 0.851042 O\n0.828939 0.828941 0.594272 O\n0.516619 0.960163 0.345937 O\n0.512761 0.512763 0.342321 O\n0.335195 0.834370 0.587976 O\n0.996069 0.996071 0.802791 O\n0.994862 0.994864 0.313906 O\n0.668014 0.668015 0.100155 O\n0.489516 0.489517 0.847098 O\n0.834369 0.335196 0.587976 O\n0.960162 0.516621 0.345937 O\n0.169717 0.663499 0.092833 O\n",
"nsites": 28,
"nelements": 5,
"elements": [
"Li",
"Nb",
"Ni",
"Sn",
"O"
],
"chemical_system": "Li-Nb-Ni-O-Sn",
"density": 5.2866489487428625,
"density_atomic": 0.08898528467573433,
"volume": 314.65876748085975,
"volume_molar": 6.7675692469208855,
"formula_full": "Li4 Nb2 Ni3 Sn3 O16",
"formula_reduced": "Li4Nb2Ni3Sn3O16",
"formula_anonymous": "A2B3C3D4E16",
"energy_above_hull": 2.5298552535714287,
"spacegroup": 8
},
{
"id": "jvasp-120248",
"created_at": "2022-09-04T14:38:53.381790Z",
"updated_at": "2022-09-04T14:38:53.381819Z",
"structure_string": "Hf1 Se3\n1.0\n5.882484 1.221951 -0.176456\n-2.929576 -5.386034 -0.348247\n1.323909 -3.070105 -3.887416\nHf Se\n1 3\ndirect\n0.144138 0.679565 0.420239 Hf\n0.793021 -0.006255 0.071973 Se\n0.087156 0.074973 0.366127 Se\n0.432793 0.016440 0.707994 Se\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Hf",
"Se"
],
"chemical_system": "Hf-Se",
"density": 6.928429213985031,
"density_atomic": 0.040180057285536204,
"volume": 99.55187399496063,
"volume_molar": 14.98788495298591,
"formula_full": "Hf1 Se3",
"formula_reduced": "HfSe3",
"formula_anonymous": "AB3",
"energy_above_hull": 2.199935775,
"spacegroup": 8
},
{
"id": "jvasp-121236",
"created_at": "2022-09-04T14:38:53.493784Z",
"updated_at": "2022-09-04T14:38:53.493811Z",
"structure_string": "Al3 P1\n1.0\n5.937286 -0.301377 0.118893\n-1.791369 -3.816893 0.563183\n-2.530767 3.012661 -4.458913\nAl P\n3 1\ndirect\n0.040399 0.193997 -0.003426 Al\n0.481360 0.194213 0.437444 Al\n0.409675 0.782848 0.656806 Al\n0.082802 0.577257 0.778397 P\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Al",
"P"
],
"chemical_system": "Al-P",
"density": 2.0195947277976867,
"density_atomic": 0.04346840607317873,
"volume": 92.02085747671609,
"volume_molar": 13.854063914517068,
"formula_full": "Al3 P1",
"formula_reduced": "Al3P",
"formula_anonymous": "AB3",
"energy_above_hull": null,
"spacegroup": 8
},
{
"id": "jvasp-122012",
"created_at": "2022-09-04T14:38:53.603510Z",
"updated_at": "2022-09-04T14:38:53.603537Z",
"structure_string": "Li8 Mn2 Co4 O14\n1.0\n2.817996 0.071958 0.358569\n1.093191 7.385841 1.222430\n0.023921 -0.020669 11.102129\nLi Mn Co O\n8 2 4 14\ndirect\n0.776959 0.366577 0.079895 Li\n0.942999 0.779316 0.333701 Li\n0.068258 0.219114 0.644556 Li\n0.209015 0.634044 0.947834 Li\n0.357558 0.070259 0.214376 Li\n0.503516 0.498801 0.493556 Li\n0.640907 0.929352 0.789414 Li\n0.577011 0.702663 0.142983 Li\n0.000663 0.993420 0.005629 Mn\n0.286598 0.857431 0.569390 Mn\n0.713268 0.143858 0.429615 Co\n0.856889 0.572691 0.713546 Co\n0.141110 0.433443 0.284094 Co\n0.428131 0.287481 0.856404 Co\n0.884264 0.689363 0.542527 O\n0.403903 0.169075 0.022978 O\n0.545277 0.589560 0.319195 O\n0.686840 0.024617 0.601293 O\n0.833024 0.454650 0.878987 O\n0.962520 0.909590 0.165609 O\n0.117757 0.307218 0.456813 O\n0.259949 0.741976 0.737737 O\n0.179304 0.523519 0.117820 O\n0.311827 0.973672 0.403212 O\n0.452310 0.406973 0.688845 O\n0.598012 0.839445 0.965315 O\n0.736830 0.261097 0.265491 O\n0.025312 0.120795 0.829187 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.509338249570783,
"density_atomic": 0.12163329421183601,
"volume": 230.2001288498799,
"volume_molar": 4.951062781800406,
"formula_full": "Li8 Mn2 Co4 O14",
"formula_reduced": "Li4MnCo2O7",
"formula_anonymous": "AB2C4D7",
"energy_above_hull": 2.5554138243842366,
"spacegroup": 8
}
]
}