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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-spacegroup&page=4333",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-spacegroup&page=4331",
"results": [
{
"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-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-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-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-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-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-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-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-119389",
"created_at": "2022-09-04T14:38:52.423430Z",
"updated_at": "2022-09-04T14:38:52.423454Z",
"structure_string": "Li4 Ti5 Co3 O16\n1.0\n5.733970 -0.027825 0.031761\n2.792439 5.008140 0.031761\n-0.000394 -0.000230 9.487742\nLi Ti Co O\n4 5 3 16\ndirect\n0.332817 0.332818 0.108759 Li\n0.011324 0.011324 0.007440 Li\n0.008111 0.008111 0.503805 Li\n0.663119 0.663120 0.598093 Li\n0.824497 0.824498 0.276348 Ti\n0.651032 0.159316 0.781123 Ti\n0.335269 0.335269 0.497820 Ti\n0.159316 0.651031 0.781123 Ti\n0.654294 0.654294 0.007654 Ti\n0.343541 0.833236 0.287616 Co\n0.174624 0.174623 0.788375 Co\n0.833235 0.343542 0.287616 Co\n0.832763 0.832764 0.904816 O\n0.827012 0.335409 0.905568 O\n0.665354 0.665355 0.396115 O\n0.517455 0.967977 0.159253 O\n0.967976 0.517456 0.159253 O\n0.169778 0.169778 0.396731 O\n0.031734 0.488911 0.652690 O\n0.481999 0.481999 0.664428 O\n0.171839 0.671593 0.403280 O\n0.006928 0.006928 0.194865 O\n0.004487 0.004487 0.693612 O\n0.335845 0.335845 0.901775 O\n0.521391 0.521392 0.170850 O\n0.671593 0.171840 0.403280 O\n0.488912 0.031734 0.652690 O\n0.335409 0.827012 0.905568 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Li",
"Ti",
"Co",
"O"
],
"chemical_system": "Co-Li-O-Ti",
"density": 4.254121353047618,
"density_atomic": 0.10249192491531744,
"volume": 273.1922541520673,
"volume_molar": 5.8757221751622986,
"formula_full": "Li4 Ti5 Co3 O16",
"formula_reduced": "Li4Ti5Co3O16",
"formula_anonymous": "A3B4C5D16",
"energy_above_hull": 3.1336960845238093,
"spacegroup": 8
},
{
"id": "jvasp-118991",
"created_at": "2022-09-04T14:38:52.409035Z",
"updated_at": "2022-09-04T14:38:52.409062Z",
"structure_string": "Li8 Mn2 Co4 O14\n1.0\n2.827432 0.035946 -0.187317\n-0.055301 4.978128 0.090787\n-0.346663 0.314301 16.380651\nLi Mn Co O\n8 2 4 14\ndirect\n0.925205 0.357853 0.850333 Li\n0.352072 0.228493 0.703645 Li\n0.784313 0.070256 0.567673 Li\n0.217209 0.924291 0.434338 Li\n0.646942 0.789647 0.294076 Li\n0.074188 0.638359 0.148858 Li\n0.500917 0.493495 0.002184 Li\n0.285125 0.573095 0.569976 Li\n0.000391 -0.002436 0.000992 Mn\n0.428183 0.852607 0.856803 Mn\n0.142996 0.287606 0.285849 Co\n0.571872 0.138732 0.143869 Co\n0.854603 0.714983 0.709492 Co\n0.716164 0.434097 0.431789 Co\n0.534564 0.837319 0.068857 O\n0.465658 0.156031 0.932051 O\n0.895941 0.011569 0.792763 O\n0.325299 0.877510 0.651322 O\n0.746528 0.733908 0.492569 O\n0.179221 0.577982 0.358452 O\n0.607650 0.433358 0.215674 O\n0.036580 0.291163 0.073763 O\n0.392816 0.564446 0.785528 O\n0.824189 0.416848 0.648425 O\n0.245916 0.269437 0.490789 O\n0.676045 0.143078 0.351461 O\n0.105521 -0.007440 0.210667 O\n0.963901 0.693727 0.927801 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.509465616393132,
"density_atomic": 0.1216367297594304,
"volume": 230.19362700212005,
"volume_molar": 4.950922942363229,
"formula_full": "Li8 Mn2 Co4 O14",
"formula_reduced": "Li4MnCo2O7",
"formula_anonymous": "AB2C4D7",
"energy_above_hull": 2.5586745386699508,
"spacegroup": 8
},
{
"id": "jvasp-118496",
"created_at": "2022-09-04T14:38:52.355290Z",
"updated_at": "2022-09-04T14:38:52.355316Z",
"structure_string": "Si1 H2 O1\n1.0\n2.668001 -1.651377 -0.017858\n2.668001 1.651377 -0.017858\n-1.692907 0.000000 4.716594\nSi H O\n1 2 1\ndirect\n0.733273 0.733273 0.744126 Si\n0.728681 0.728681 0.287372 H\n0.410975 0.410975 0.792494 H\n0.598134 0.598134 0.386004 O\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Si",
"H",
"O"
],
"chemical_system": "H-O-Si",
"density": 1.8463383081125448,
"density_atomic": 0.09647480312373416,
"volume": 41.46160313869502,
"volume_molar": 6.24219025591198,
"formula_full": "Si1 H2 O1",
"formula_reduced": "SiH2O",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.566463025,
"spacegroup": 8
},
{
"id": "jvasp-123619",
"created_at": "2022-09-04T14:38:52.246312Z",
"updated_at": "2022-09-04T14:38:52.246323Z",
"structure_string": "Sm1 P3\n1.0\n3.541328 -0.000000 -1.133977\n-0.042576 4.086468 -0.132962\n-0.139509 -0.201565 5.660962\nSm P\n1 3\ndirect\n0.338755 -0.017970 0.677511 Sm\n0.620630 0.078300 0.241258 P\n0.122261 0.442185 0.244522 P\n0.918353 0.497488 0.836707 P\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Sm",
"P"
],
"chemical_system": "P-Sm",
"density": 4.976838652300502,
"density_atomic": 0.04927830398647225,
"volume": 81.17162476001751,
"volume_molar": 12.220673750568166,
"formula_full": "Sm1 P3",
"formula_reduced": "SmP3",
"formula_anonymous": "AB3",
"energy_above_hull": 2.41805884375,
"spacegroup": 8
}
]
}