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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-spacegroup&page=4626",
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"results": [
{
"id": "jvasp-103865",
"created_at": "2022-09-04T14:37:07.318831Z",
"updated_at": "2022-09-04T14:37:07.318858Z",
"structure_string": "Sn1 H8 C5 O4\n1.0\n4.855748 0.110145 -0.000227\n-0.939858 5.580504 -1.812035\n0.020906 -0.132954 6.576329\nSn H C O\n1 8 5 4\ndirect\n0.121733 0.124630 0.897549 Sn\n0.242285 0.048470 0.268170 H\n0.083525 0.773208 0.072166 H\n0.465431 0.500978 0.858581 H\n0.443624 0.885381 0.052623 H\n0.170718 0.425544 0.670419 H\n0.445905 0.571941 0.438649 H\n0.623952 0.725037 0.275602 H\n0.455997 0.249914 0.616730 H\n0.330347 0.355519 0.739948 C\n0.238314 0.933765 0.100588 C\n0.787337 0.398458 0.271282 C\n0.832035 0.789103 0.572047 C\n0.651312 0.621318 0.383642 C\n0.724044 0.942006 0.729036 O\n0.880258 0.391127 0.081091 O\n0.802951 0.243343 0.356963 O\n0.092782 0.790208 0.577524 O\n",
"nsites": 18,
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"elements": [
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],
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"density": 2.3437422948312547,
"density_atomic": 0.10128919089812767,
"volume": 177.70899185189097,
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"formula_full": "Sn1 H8 C5 O4",
"formula_reduced": "SnH8C5O4",
"formula_anonymous": "AB4C5D8",
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"spacegroup": 1
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{
"id": "jvasp-101944",
"created_at": "2022-09-04T14:37:07.663573Z",
"updated_at": "2022-09-04T14:37:07.663589Z",
"structure_string": "Hf1 H8 C6 O4\n1.0\n3.800346 0.081217 -0.415425\n1.498155 4.377823 0.698109\n-1.090894 -0.080652 9.726341\nHf H C O\n1 8 6 4\ndirect\n0.297451 0.827442 0.312512 Hf\n0.827036 0.373093 0.923253 H\n0.486271 0.198419 0.903715 H\n0.284416 0.900736 0.860912 H\n0.951187 0.717088 0.834786 H\n0.519684 0.220729 0.671856 H\n0.011868 0.350346 0.627149 H\n0.001955 0.900185 0.602665 H\n0.504028 0.756913 0.655804 H\n0.531550 0.409638 0.929697 C\n0.240008 0.695886 0.825866 C\n0.251505 0.705585 0.669954 C\n0.253492 0.439429 0.455688 C\n0.257479 0.414757 0.612395 C\n0.537985 0.403733 0.084725 C\n0.326409 0.640953 0.120404 O\n0.316739 0.153822 0.417098 O\n0.890912 0.657422 0.363718 O\n0.746430 0.156942 0.173398 O\n",
"nsites": 19,
"nelements": 4,
"elements": [
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],
"chemical_system": "C-H-Hf-O",
"density": 3.3723673127355385,
"density_atomic": 0.11960639144971746,
"volume": 158.8543870415788,
"volume_molar": 5.034965679515303,
"formula_full": "Hf1 H8 C6 O4",
"formula_reduced": "HfH8(C3O2)2",
"formula_anonymous": "AB4C6D8",
"energy_above_hull": 4.733869842105264,
"spacegroup": 1
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{
"id": "jvasp-47051",
"created_at": "2022-09-04T14:35:41.813283Z",
"updated_at": "2022-09-04T14:35:41.813312Z",
"structure_string": "Li3 Nb4 V1 O12\n1.0\n5.152476 0.002970 -0.006837\n-0.017511 5.619601 -0.025959\n-0.013319 -0.782419 7.566809\nLi Nb V O\n3 4 1 12\ndirect\n0.507674 0.937753 0.783398 Li\n0.996092 0.446572 0.782292 Li\n0.500491 0.936371 0.278332 Li\n0.010153 0.007231 0.998438 Nb\n0.493739 0.512396 0.491805 Nb\n0.996172 0.004556 0.504725 Nb\n0.507081 0.504003 0.986154 Nb\n0.998548 0.390303 0.303347 V\n0.697674 0.219577 0.909131 O\n0.830698 0.348641 0.548483 O\n0.175008 0.360472 0.061989 O\n0.649261 0.535199 0.235883 O\n0.363555 0.532877 0.737080 O\n0.139495 0.034177 0.741592 O\n0.174092 0.702803 0.405313 O\n0.324907 0.850368 0.049903 O\n0.854083 0.047084 0.240603 O\n0.306742 0.205337 0.406287 O\n0.805270 0.721306 0.917397 O\n0.669273 0.843771 0.547441 O\n",
"nsites": 20,
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"elements": [
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"O"
],
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"density": 4.817905119690178,
"density_atomic": 0.09132794244932702,
"volume": 218.99102797697353,
"volume_molar": 6.593973978272163,
"formula_full": "Li3 Nb4 V1 O12",
"formula_reduced": "Li3Nb4VO12",
"formula_anonymous": "AB3C4D12",
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"spacegroup": 1
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{
"id": "jvasp-98317",
"created_at": "2022-09-04T14:35:42.292364Z",
"updated_at": "2022-09-04T14:35:42.292381Z",
"structure_string": "Na4 Cl4 O12\n1.0\n7.406877 -0.497636 0.582470\n-0.520159 6.989922 -0.609020\n0.549031 -0.546771 7.681305\nNa Cl O\n4 4 12\ndirect\n0.589971 0.508886 0.090099 Na\n0.573585 0.890168 0.465430 Na\n0.088644 0.407661 0.590188 Na\n0.955563 0.901669 0.116553 Na\n0.962170 0.539452 0.923648 Cl\n0.433918 0.494042 0.436468 Cl\n0.926251 0.053570 0.468344 Cl\n0.605403 0.894473 0.121462 Cl\n0.309582 0.823708 0.852528 O\n0.198378 0.753761 0.223755 O\n0.785756 0.625979 0.630582 O\n0.316487 0.906506 0.720240 O\n0.712504 0.768602 0.710901 O\n-0.082040 0.424187 0.309376 O\n0.153786 0.200478 0.025583 O\n0.653056 0.175208 0.798551 O\n0.554384 0.300278 0.787363 O\n0.297498 0.233316 0.095590 O\n0.183645 0.763420 0.387871 O\n0.781460 0.334627 0.245473 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
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"Cl",
"O"
],
"chemical_system": "Cl-Na-O",
"density": 1.8066533079782763,
"density_atomic": 0.051107767068074746,
"volume": 391.32995134301825,
"volume_molar": 11.783220252958033,
"formula_full": "Na4 Cl4 O12",
"formula_reduced": "NaClO3",
"formula_anonymous": "ABC3",
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"spacegroup": 1
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{
"id": "jvasp-42816",
"created_at": "2022-09-04T14:35:42.855051Z",
"updated_at": "2022-09-04T14:35:42.855076Z",
"structure_string": "V6 O8 F4\n1.0\n4.628048 0.002050 -0.006119\n0.138294 5.508127 0.040282\n0.167542 0.642550 7.521541\nV O F\n6 8 4\ndirect\n0.491700 0.836646 0.673514 V\n0.506109 0.497230 0.976754 V\n0.539054 0.162998 0.346238 V\n0.015382 0.335435 0.667480 V\n0.945794 0.657088 0.320729 V\n0.005215 0.007005 0.007699 V\n0.197543 0.296708 0.899972 O\n0.292234 0.799333 0.901140 O\n0.304325 0.134376 0.566041 O\n0.704288 0.864231 0.437268 O\n0.688921 0.204999 0.105089 O\n0.791905 0.697548 0.099989 O\n0.806477 0.367812 0.432804 O\n0.705456 0.534142 0.760066 O\n0.203073 0.963587 0.241698 F\n0.798027 0.036593 0.771095 F\n0.298183 0.468034 0.234551 F\n0.206303 0.636244 0.557869 F\n",
"nsites": 18,
"nelements": 3,
"elements": [
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],
"chemical_system": "F-O-V",
"density": 4.4163833118580085,
"density_atomic": 0.09393523465409334,
"volume": 191.62138750473252,
"volume_molar": 6.410949823222246,
"formula_full": "V6 O8 F4",
"formula_reduced": "V3(O2F)2",
"formula_anonymous": "A2B3C4",
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"spacegroup": 1
},
{
"id": "jvasp-85508",
"created_at": "2022-09-04T14:35:42.869843Z",
"updated_at": "2022-09-04T14:35:42.869872Z",
"structure_string": "Si4 H4 O10\n1.0\n-3.243161 7.093933 1.784433\n3.106665 -7.509089 2.949878\n3.080188 7.490250 -3.083996\nSi H O\n4 4 10\ndirect\n0.654219 0.139425 0.717155 Si\n0.356979 0.880144 0.325852 Si\n0.844179 0.055065 0.017918 Si\n0.156335 0.958400 0.000217 Si\n0.140140 0.613421 0.484873 H\n0.667995 0.841886 0.647433 H\n0.464554 0.457156 0.657679 H\n0.166779 0.043701 0.325788 H\n0.308973 0.096263 0.462756 O\n0.730813 -0.049933 0.589809 O\n0.926966 0.518167 0.764610 O\n0.698913 0.069332 0.251478 O\n0.352220 0.847430 0.510624 O\n0.510412 0.175686 0.949323 O\n0.067220 0.051965 -0.027313 O\n0.576587 0.721385 0.786954 O\n0.069695 0.444404 0.102478 O\n0.116615 0.054561 0.251637 O\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Si",
"H",
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],
"chemical_system": "H-O-Si",
"density": 2.167035146529355,
"density_atomic": 0.08499668427242876,
"volume": 211.77296684076467,
"volume_molar": 7.085147863766096,
"formula_full": "Si4 H4 O10",
"formula_reduced": "Si2H2O5",
"formula_anonymous": "A2B2C5",
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"spacegroup": 1
},
{
"id": "jvasp-48198",
"created_at": "2022-09-04T14:35:43.716772Z",
"updated_at": "2022-09-04T14:35:43.716789Z",
"structure_string": "Li4 Mn1 Sb2 W1 O12\n1.0\n-5.071118 0.001100 0.000752\n0.001141 -5.403141 -0.039549\n0.007487 0.582313 7.391134\nLi Mn Sb W O\n4 1 2 1 12\ndirect\n0.996971 0.444290 0.300323 Li\n0.499500 0.910546 0.772043 Li\n0.002088 0.565273 0.707722 Li\n0.498904 0.896710 0.309095 Li\n0.501485 0.492204 0.499035 Mn\n0.003460 0.006377 0.506325 Sb\n0.499828 0.486273 -0.001085 Sb\n-0.000801 -0.001514 0.006860 W\n0.683154 0.166922 0.929207 O\n0.816777 0.328896 0.554535 O\n0.166905 0.314434 0.066728 O\n0.630226 0.516663 0.251711 O\n0.372765 0.516528 0.746518 O\n0.132689 -0.002006 0.760455 O\n0.199714 0.691787 0.435534 O\n0.311161 0.820648 0.062049 O\n0.866435 0.005479 0.245129 O\n0.315342 0.197995 0.427195 O\n0.817075 0.690250 0.931724 O\n0.686323 0.809849 0.560083 O\n",
"nsites": 20,
"nelements": 5,
"elements": [
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"Mn",
"Sb",
"W",
"O"
],
"chemical_system": "Li-Mn-O-Sb-W",
"density": 5.759828073603108,
"density_atomic": 0.09881420425102108,
"volume": 202.4000512030975,
"volume_molar": 6.094407990881302,
"formula_full": "Li4 Mn1 Sb2 W1 O12",
"formula_reduced": "Li4MnSb2WO12",
"formula_anonymous": "ABC2D4E12",
"energy_above_hull": 2.8760635720689653,
"spacegroup": 1
},
{
"id": "jvasp-45854",
"created_at": "2022-09-04T14:35:43.320017Z",
"updated_at": "2022-09-04T14:35:43.320045Z",
"structure_string": "Li3 Nb2 Fe3 O10\n1.0\n5.131055 0.043579 -0.021428\n-1.017552 4.951162 0.031208\n-2.504909 -1.891653 7.281802\nLi Nb Fe O\n3 2 3 10\ndirect\n0.876124 0.315741 0.412725 Li\n0.328762 0.389259 0.768546 Li\n0.661141 0.604380 0.207598 Li\n0.736326 0.037292 0.687238 Nb\n0.249554 0.928058 0.308230 Nb\n0.506965 0.003872 0.008354 Fe\n0.911085 0.659835 0.863290 Fe\n0.099536 0.301602 0.099442 Fe\n0.663693 0.856584 0.440717 O\n0.288341 0.681883 0.069852 O\n0.131642 0.062347 0.882476 O\n0.880764 0.989099 0.156799 O\n0.931959 0.405475 0.666935 O\n0.337688 0.120115 0.558542 O\n0.474178 0.233693 0.222031 O\n0.546989 0.771483 0.803515 O\n0.717077 0.314202 0.939383 O\n0.066995 0.551067 0.302565 O\n",
"nsites": 18,
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"elements": [
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"Fe",
"O"
],
"chemical_system": "Fe-Li-Nb-O",
"density": 4.786651700570028,
"density_atomic": 0.09713595216539152,
"volume": 185.30728940971048,
"volume_molar": 6.199703225996298,
"formula_full": "Li3 Nb2 Fe3 O10",
"formula_reduced": "Li3Nb2Fe3O10",
"formula_anonymous": "A2B3C3D10",
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"spacegroup": 1
},
{
"id": "jvasp-88814",
"created_at": "2022-09-04T14:35:43.716498Z",
"updated_at": "2022-09-04T14:35:43.716534Z",
"structure_string": "Na2 Si4 Cu5 O14\n1.0\n5.788945 0.004839 0.146128\n2.504915 6.516317 3.301045\n-0.004292 -0.036785 7.971395\nNa Si Cu O\n2 4 5 14\ndirect\n0.232375 0.633772 0.056823 Na\n0.767624 0.366228 0.943178 Na\n0.305187 0.284639 0.905942 Si\n0.581985 0.103345 0.318422 Si\n0.418013 0.896655 0.681579 Si\n0.180274 0.932070 0.223276 Si\n0.010184 0.736542 0.632831 Cu\n0.989814 0.263458 0.367169 Cu\n0.819725 0.067930 0.776724 Cu\n0.694812 0.715361 0.094058 Cu\n0.499999 0.500000 0.500000 Cu\n0.806596 0.897289 0.033756 O\n0.511385 0.293981 0.755254 O\n0.488614 0.706019 0.244746 O\n0.811931 0.282547 0.527772 O\n0.715443 0.853063 0.547944 O\n0.939834 0.499130 0.208276 O\n0.060165 0.500870 0.791725 O\n0.284556 0.146937 0.452056 O\n0.909074 0.139983 0.265334 O\n0.090925 0.860017 0.734666 O\n0.188067 0.717453 0.472228 O\n0.193403 0.102711 0.966244 O\n0.418448 0.306402 0.078435 O\n0.581550 0.693598 0.921565 O\n",
"nsites": 25,
"nelements": 4,
"elements": [
"Na",
"Si",
"Cu",
"O"
],
"chemical_system": "Cu-Na-O-Si",
"density": 3.858129040334984,
"density_atomic": 0.08297415858886693,
"volume": 301.298626285249,
"volume_molar": 7.257850953137622,
"formula_full": "Na2 Si4 Cu5 O14",
"formula_reduced": "Na2Cu5(Si2O7)2",
"formula_anonymous": "A2B4C5D14",
"energy_above_hull": 2.109159746,
"spacegroup": 1
},
{
"id": "jvasp-48423",
"created_at": "2022-09-04T14:35:43.868775Z",
"updated_at": "2022-09-04T14:35:43.868802Z",
"structure_string": "Li3 Co5 O1 F11\n1.0\n-5.081110 0.048005 0.667814\n2.361236 4.799615 -1.701393\n1.291963 0.000293 -8.765507\nLi Co O F\n3 5 1 11\ndirect\n0.790237 0.625646 0.942695 Li\n0.290629 0.146686 0.418440 Li\n0.212766 0.360322 0.071063 Li\n0.483189 0.125073 0.840240 Co\n0.978435 0.643990 0.342819 Co\n0.011540 0.390535 0.659890 Co\n0.515352 0.866699 0.157389 Co\n0.748043 0.867234 0.575371 Co\n0.964760 0.718710 0.531947 O\n0.443361 0.879077 0.373236 F\n0.064022 0.636442 0.132640 F\n0.036500 0.274578 0.464516 F\n0.517806 0.758619 0.960326 F\n0.024042 0.970152 0.786327 F\n0.930573 0.375541 0.877440 F\n0.561756 0.106108 0.625120 F\n0.527812 0.476344 0.279221 F\n0.460670 0.512303 0.713381 F\n0.471661 0.231034 0.034941 F\n0.966838 0.034882 0.213005 F\n",
"nsites": 20,
"nelements": 4,
"elements": [
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"O",
"F"
],
"chemical_system": "Co-F-Li-O",
"density": 4.263273979606159,
"density_atomic": 0.09500618915203002,
"volume": 210.51260111060517,
"volume_molar": 6.338682578208984,
"formula_full": "Li3 Co5 O1 F11",
"formula_reduced": "Li3Co5OF11",
"formula_anonymous": "AB3C5D11",
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"spacegroup": 1
},
{
"id": "jvasp-63134",
"created_at": "2022-09-04T14:35:43.946558Z",
"updated_at": "2022-09-04T14:35:43.946585Z",
"structure_string": "Li6 Cu1 B4 O10\n1.0\n4.715464 -0.092307 -0.013840\n1.540149 6.074883 -0.029432\n2.313896 0.573689 6.818345\nLi Cu B O\n6 1 4 10\ndirect\n0.452662 0.633175 0.282560 Li\n0.523278 0.146445 0.219648 Li\n0.868789 0.373272 0.439925 Li\n0.946829 0.837427 0.341906 Li\n0.742165 0.834376 0.001629 Li\n0.893249 0.971187 0.629099 Li\n0.751318 0.327446 0.842012 Cu\n0.388739 0.114680 0.615067 B\n0.220990 0.016660 0.988528 B\n0.131504 0.538748 0.060099 B\n0.280613 0.610435 0.679523 B\n0.442578 0.026972 0.800370 O\n0.100543 0.208687 0.608790 O\n0.915874 0.087788 0.010470 O\n0.406428 0.423418 0.077821 O\n0.571623 0.500549 0.652054 O\n0.078217 0.619572 0.876154 O\n0.887611 0.598055 0.218173 O\n0.168868 0.717090 0.532949 O\n0.328414 0.922512 0.141441 O\n0.639907 0.090098 0.456290 O\n",
"nsites": 21,
"nelements": 4,
"elements": [
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"B",
"O"
],
"chemical_system": "B-Cu-Li-O",
"density": 2.605681397393381,
"density_atomic": 0.10684025006679727,
"volume": 196.5551371030174,
"volume_molar": 5.63658429874033,
"formula_full": "Li6 Cu1 B4 O10",
"formula_reduced": "Li6Cu(B2O5)2",
"formula_anonymous": "AB4C6D10",
"energy_above_hull": 2.652088370634921,
"spacegroup": 1
},
{
"id": "jvasp-48576",
"created_at": "2022-09-04T14:35:44.313533Z",
"updated_at": "2022-09-04T14:35:44.313568Z",
"structure_string": "Li5 Ti2 Co3 O10\n1.0\n5.066612 -0.041456 -0.008574\n0.791566 4.971296 -0.022060\n2.441285 2.015106 6.868774\nLi Ti Co O\n5 2 3 10\ndirect\n0.226877 0.501377 0.591883 Li\n0.423982 0.488657 0.201527 Li\n0.501318 0.005006 0.495578 Li\n0.782663 0.510977 0.403468 Li\n0.581468 0.509051 0.796036 Li\n0.112735 0.996432 0.296065 Ti\n0.882002 0.013451 0.700272 Ti\n0.309527 0.998789 0.887981 Co\n0.696006 0.002710 0.100802 Co\n0.000574 0.499997 0.999426 Co\n0.861371 0.778848 0.542291 O\n0.024035 0.760484 0.145866 O\n0.140262 0.226893 0.455421 O\n0.355712 0.241429 0.056763 O\n0.222330 0.744240 0.761746 O\n0.441008 0.769696 0.333543 O\n0.570250 0.247477 0.647845 O\n0.773290 0.243917 0.231832 O\n0.659536 0.760979 0.951517 O\n0.943253 0.240778 0.865262 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Li",
"Ti",
"Co",
"O"
],
"chemical_system": "Co-Li-O-Ti",
"density": 4.470480320539555,
"density_atomic": 0.11523965848573144,
"volume": 173.5513647194323,
"volume_molar": 5.225753737152598,
"formula_full": "Li5 Ti2 Co3 O10",
"formula_reduced": "Li5Ti2Co3O10",
"formula_anonymous": "A2B3C5D10",
"energy_above_hull": 2.742460218333333,
"spacegroup": 1
}
]
}