HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept
{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_anonymous&page=4557",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_anonymous&page=4555",
"results": [
{
"id": "jvasp-26822",
"created_at": "2022-09-04T14:38:29.398283Z",
"updated_at": "2022-09-04T14:38:29.398294Z",
"structure_string": "Rb2 Na2 Ti2 O6\n1.0\n5.572901 0.044293 0.142124\n0.259858 5.191380 2.793718\n0.026897 -0.010361 6.249093\nRb Na Ti O\n2 2 2 6\ndirect\n0.250000 0.266694 0.466610 Rb\n0.750000 0.733305 0.533390 Rb\n0.250001 0.575718 0.848563 Na\n0.750000 0.424282 0.151436 Na\n0.750000 0.051855 0.896290 Ti\n0.250000 0.948145 0.103710 Ti\n0.002165 0.227106 0.976056 O\n0.497836 0.796838 0.976056 O\n0.750000 0.212975 0.574049 O\n0.997835 0.772894 0.023944 O\n0.502165 0.203161 0.023944 O\n0.250000 0.787024 0.425951 O\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Rb",
"Na",
"Ti",
"O"
],
"chemical_system": "Na-O-Rb-Ti",
"density": 3.7518082642704713,
"density_atomic": 0.06634772294657117,
"volume": 180.8652877155019,
"volume_molar": 9.07663517683876,
"formula_full": "Rb2 Na2 Ti2 O6",
"formula_reduced": "RbNaTiO3",
"formula_anonymous": "ABCD3",
"energy_above_hull": 1.298897972222222,
"spacegroup": 15
},
{
"id": "jvasp-26816",
"created_at": "2022-09-04T14:38:28.214260Z",
"updated_at": "2022-09-04T14:38:28.214289Z",
"structure_string": "Y4 Se4 O12 F4\n1.0\n0.000000 6.632381 0.028630\n6.899237 0.000000 0.000000\n0.000000 -1.129472 -7.105696\nY Se O F\n4 4 12 4\ndirect\n0.139304 0.360030 0.323728 Y\n0.860696 0.860030 0.176272 Y\n0.860697 0.639970 0.676272 Y\n0.139304 0.139970 0.823729 Y\n0.644572 0.116785 0.708881 Se\n0.355428 0.883215 0.291120 Se\n0.644572 0.383215 0.208881 Se\n0.355429 0.616785 0.791120 Se\n0.512774 0.812137 0.137570 O\n0.177195 0.803638 0.783096 O\n0.487226 0.312137 0.362430 O\n0.824424 0.534800 0.352020 O\n0.822806 0.303638 0.716905 O\n0.175576 0.465201 0.647980 O\n0.177195 0.696362 0.283096 O\n0.822805 0.196362 0.216904 O\n0.824424 0.965201 0.852021 O\n0.512774 0.687864 0.637571 O\n0.175576 0.034800 0.147980 O\n0.487226 0.187863 0.862430 O\n0.169718 0.389197 0.022963 F\n0.830282 0.889197 0.477037 F\n0.830282 0.610804 0.977038 F\n0.169719 0.110804 0.522963 F\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Y",
"Se",
"O",
"F"
],
"chemical_system": "F-O-Se-Y",
"density": 4.801131735944715,
"density_atomic": 0.07386389115130124,
"volume": 324.9219561265586,
"volume_molar": 8.153023982536167,
"formula_full": "Y4 Se4 O12 F4",
"formula_reduced": "YSeO3F",
"formula_anonymous": "ABCD3",
"energy_above_hull": 1.6780199331944443,
"spacegroup": 14
},
{
"id": "jvasp-111658",
"created_at": "2022-09-04T14:38:26.623917Z",
"updated_at": "2022-09-04T14:38:26.623938Z",
"structure_string": "Li3 Co3 B3 O9\n1.0\n8.191816 0.000000 -0.000000\n-4.095909 7.094321 -0.000000\n-0.000000 0.000000 3.009662\nLi Co B O\n3 3 3 9\ndirect\n0.043837 0.696392 0.000000 Li\n0.303608 0.347445 0.000000 Li\n0.652555 0.956162 0.000000 Li\n0.963133 0.319256 0.500000 Co\n0.680744 0.643876 0.500000 Co\n0.356124 0.036868 0.500000 Co\n0.666667 0.333333 0.000000 B\n0.333333 0.666667 0.500000 B\n0.000000 0.000000 0.500000 B\n0.446366 0.861151 0.500000 O\n0.771607 0.242590 0.000000 O\n0.805917 0.916299 0.500000 O\n0.757410 0.529017 0.000000 O\n0.110381 0.194083 0.500000 O\n0.083701 0.889618 0.500000 O\n0.138849 0.585215 0.500000 O\n0.470984 0.228393 0.000000 O\n0.414785 0.553634 0.500000 O\n",
"nsites": 18,
"nelements": 4,
"elements": [
"Li",
"Co",
"B",
"O"
],
"chemical_system": "B-Co-Li-O",
"density": 3.551159853542612,
"density_atomic": 0.10291146390432342,
"volume": 174.90762755774773,
"volume_molar": 5.8517686286133985,
"formula_full": "Li3 Co3 B3 O9",
"formula_reduced": "LiCoBO3",
"formula_anonymous": "ABCD3",
"energy_above_hull": 2.582870663888889,
"spacegroup": 174
},
{
"id": "jvasp-12117",
"created_at": "2022-09-04T14:38:15.643735Z",
"updated_at": "2022-09-04T14:38:15.643764Z",
"structure_string": "Hg4 I4 N4 O12\n1.0\n5.392198 0.000000 0.000000\n-0.000000 7.537444 0.000000\n0.000000 0.000000 12.035426\nHg I N O\n4 4 4 12\ndirect\n0.750000 0.597101 0.271931 Hg\n0.250000 0.902898 0.771931 Hg\n0.250000 0.402899 0.728070 Hg\n0.750000 0.097101 0.228070 Hg\n0.750000 0.882626 0.408927 I\n0.250000 0.617373 0.908928 I\n0.750000 0.382626 0.091073 I\n0.250000 0.117375 0.591073 I\n0.750000 0.058114 0.855034 N\n0.750000 0.558113 0.644966 N\n0.250000 0.441886 0.355034 N\n0.250000 0.941886 0.144966 N\n0.750000 0.925944 0.788170 O\n0.454620 0.377420 0.387589 O\n0.954621 0.622580 0.612411 O\n0.545380 0.122580 0.887590 O\n0.750000 0.425944 0.711830 O\n0.045380 0.877419 0.112411 O\n0.545380 0.622580 0.612411 O\n0.954621 0.122580 0.887590 O\n0.250000 0.074055 0.211830 O\n0.454620 0.877419 0.112411 O\n0.045380 0.377420 0.387589 O\n0.250000 0.574055 0.288170 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Hg",
"I",
"N",
"O"
],
"chemical_system": "Hg-I-N-O",
"density": 5.288888993392431,
"density_atomic": 0.04906364905272749,
"volume": 489.16051829344764,
"volume_molar": 12.274139564157068,
"formula_full": "Hg4 I4 N4 O12",
"formula_reduced": "HgINO3",
"formula_anonymous": "ABCD3",
"energy_above_hull": 1.8751274374999995,
"spacegroup": 62
},
{
"id": "jvasp-42744",
"created_at": "2022-09-04T14:36:04.547952Z",
"updated_at": "2022-09-04T14:36:04.547971Z",
"structure_string": "Li4 Mn4 B4 O12\n1.0\n5.197320 0.006479 0.015906\n2.585275 4.508717 -0.015906\n-0.183562 0.316396 10.342163\nLi Mn B O\n4 4 4 12\ndirect\n0.321393 0.652082 0.333174 Li\n0.347919 0.678609 0.833174 Li\n0.652499 0.337241 0.583298 Li\n0.662760 0.347502 0.083298 Li\n0.331098 0.000633 0.115810 Mn\n0.676209 0.007046 0.865644 Mn\n0.992955 0.323792 0.365644 Mn\n-0.000632 0.668903 0.615810 Mn\n0.657159 0.998316 0.374203 B\n0.997370 0.665504 0.124004 B\n0.001685 0.342842 0.874203 B\n0.334496 0.002631 0.624004 B\n0.751252 0.933017 0.084008 O\n0.066984 0.248749 0.584008 O\n0.255564 0.068629 0.902274 O\n0.031030 0.583908 0.834970 O\n0.581278 0.034231 0.652769 O\n0.272992 0.641396 0.138826 O\n0.358605 0.727009 0.638826 O\n0.628687 0.275131 0.389116 O\n0.724870 0.371315 0.889116 O\n0.416094 0.968971 0.334970 O\n0.965770 0.418723 0.152769 O\n0.931372 0.744437 0.402274 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Li",
"Mn",
"B",
"O"
],
"chemical_system": "B-Li-Mn-O",
"density": 3.3093821743367635,
"density_atomic": 0.09907956796974593,
"volume": 242.22955844264914,
"volume_molar": 6.078085404892831,
"formula_full": "Li4 Mn4 B4 O12",
"formula_reduced": "LiMnBO3",
"formula_anonymous": "ABCD3",
"energy_above_hull": 2.712826720785441,
"spacegroup": 9
},
{
"id": "jvasp-48806",
"created_at": "2022-09-04T14:36:05.417324Z",
"updated_at": "2022-09-04T14:36:05.417352Z",
"structure_string": "Li4 V4 O4 F12\n1.0\n0.000000 4.447063 -0.026703\n4.784250 0.000000 0.000000\n0.000000 -4.276171 -11.435905\nLi V O F\n4 4 4 12\ndirect\n0.956736 0.746576 0.945020 Li\n0.043263 0.253424 0.054980 Li\n0.956736 0.753424 0.445020 Li\n0.043263 0.246576 0.554979 Li\n0.345405 0.275238 0.315264 V\n0.654595 0.724762 0.684735 V\n0.654595 0.775238 0.184736 V\n0.345404 0.224762 0.815264 V\n0.442523 0.435618 0.701801 O\n0.557476 0.935618 0.798198 O\n0.442523 0.064382 0.201801 O\n0.557476 0.564382 0.298198 O\n0.815990 0.907846 0.068445 F\n0.043959 0.572175 0.806449 F\n0.184009 0.092154 0.931555 F\n0.325943 0.586689 0.066873 F\n0.674057 0.086689 0.433127 F\n0.815990 0.592154 0.568444 F\n0.956040 0.072175 0.693550 F\n0.043959 0.927825 0.306449 F\n0.325943 0.913311 0.566873 F\n0.184009 0.407846 0.431555 F\n0.674057 0.413311 0.933127 F\n0.956040 0.427825 0.193550 F\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Li",
"V",
"O",
"F"
],
"chemical_system": "F-Li-O-V",
"density": 3.5648484852275333,
"density_atomic": 0.09841913275351802,
"volume": 243.85502420658256,
"volume_molar": 6.1188720033551975,
"formula_full": "Li4 V4 O4 F12",
"formula_reduced": "LiVOF3",
"formula_anonymous": "ABCD3",
"energy_above_hull": 0.805659757916667,
"spacegroup": 14
},
{
"id": "jvasp-96183",
"created_at": "2022-09-04T14:36:05.347792Z",
"updated_at": "2022-09-04T14:36:05.347822Z",
"structure_string": "K2 Zr2 Cu2 S6\n1.0\n3.758286 -0.000000 0.000000\n-1.879143 6.976026 -0.000000\n-0.000000 -0.000000 9.820820\nK Zr Cu S\n2 2 2 6\ndirect\n0.255366 0.510731 0.250000 K\n0.744636 0.489270 0.750000 K\n0.000000 0.000000 0.000000 Zr\n0.000000 0.000000 0.500000 Zr\n0.535927 0.071852 0.250000 Cu\n0.464075 0.928148 0.750000 Cu\n0.935467 0.870932 0.250000 S\n0.064535 0.129068 0.750000 S\n0.376183 0.752365 0.552125 S\n0.376183 0.752365 0.947875 S\n0.623819 0.247636 0.052125 S\n0.623819 0.247636 0.447875 S\n",
"nsites": 12,
"nelements": 4,
"elements": [
"K",
"Zr",
"Cu",
"S"
],
"chemical_system": "Cu-K-S-Zr",
"density": 3.7413316572694892,
"density_atomic": 0.046605328997581796,
"volume": 257.4812850397997,
"volume_molar": 12.921571179794633,
"formula_full": "K2 Zr2 Cu2 S6",
"formula_reduced": "KZrCuS3",
"formula_anonymous": "ABCD3",
"energy_above_hull": 1.364555491666667,
"spacegroup": 63
},
{
"id": "jvasp-62279",
"created_at": "2022-09-04T14:36:04.531871Z",
"updated_at": "2022-09-04T14:36:04.531898Z",
"structure_string": "P4 Au4 Cl4 F12\n1.0\n4.614935 -0.000000 0.000000\n-0.000000 5.400062 0.000000\n0.000000 0.000000 18.065201\nP Au Cl F\n4 4 4 12\ndirect\n0.493891 0.750000 0.352438 P\n0.993890 0.250000 0.147562 P\n0.506108 0.250000 0.647562 P\n0.006109 0.750000 0.852438 P\n0.349138 0.750000 0.468589 Au\n0.849137 0.250000 0.031411 Au\n0.650861 0.250000 0.531411 Au\n0.150862 0.750000 0.968589 Au\n0.872744 0.250000 0.417249 Cl\n0.372745 0.750000 0.082751 Cl\n0.127255 0.750000 0.582751 Cl\n0.627254 0.250000 0.917249 Cl\n0.384218 0.529100 0.303924 F\n0.820222 0.750000 0.329537 F\n0.320222 0.250000 0.170462 F\n0.179777 0.250000 0.670462 F\n0.679777 0.750000 0.829537 F\n0.384218 0.970899 0.303924 F\n0.884218 0.029100 0.196076 F\n0.615780 0.470899 0.696076 F\n0.115781 0.529100 0.803924 F\n0.615780 0.029100 0.696076 F\n0.115781 0.970899 0.803924 F\n0.884218 0.470899 0.196076 F\n",
"nsites": 24,
"nelements": 4,
"elements": [
"P",
"Au",
"Cl",
"F"
],
"chemical_system": "Au-Cl-F-P",
"density": 4.726927380384072,
"density_atomic": 0.053309438602577024,
"volume": 450.2017021586083,
"volume_molar": 11.296575086628064,
"formula_full": "P4 Au4 Cl4 F12",
"formula_reduced": "PAuClF3",
"formula_anonymous": "ABCD3",
"energy_above_hull": 0.2796513308333333,
"spacegroup": 62
},
{
"id": "jvasp-95286",
"created_at": "2022-09-04T14:36:04.862083Z",
"updated_at": "2022-09-04T14:36:04.862116Z",
"structure_string": "Sr4 Li4 B4 O12\n1.0\n6.083266 0.000000 -2.194235\n0.000000 6.733810 0.000000\n-0.017395 0.000000 6.919157\nSr Li B O\n4 4 4 12\ndirect\n0.197834 0.124411 0.864874 Sr\n0.802166 0.875589 0.135126 Sr\n0.697835 0.375589 0.364874 Sr\n0.302165 0.624411 0.635126 Sr\n0.601621 0.090925 0.694689 Li\n0.898379 0.590925 0.805311 Li\n0.398379 0.909075 0.305311 Li\n0.101621 0.409075 0.194689 Li\n0.189910 0.135737 0.426076 B\n0.689910 0.364263 0.926075 B\n0.810090 0.864263 0.573924 B\n0.310090 0.635737 0.073924 B\n0.840330 0.886339 0.782700 O\n0.392559 0.801134 0.007256 O\n0.159669 0.113661 0.217300 O\n0.340330 0.613660 0.282700 O\n0.804217 0.509916 0.062395 O\n0.304216 0.990084 0.562395 O\n0.195783 0.490084 0.937605 O\n0.892559 0.698865 0.507256 O\n0.107441 0.301135 0.492744 O\n0.659669 0.386339 0.717300 O\n0.695783 0.009916 0.437604 O\n0.607441 0.198865 0.992744 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Sr",
"Li",
"B",
"O"
],
"chemical_system": "B-Li-O-Sr",
"density": 3.5974372283474954,
"density_atomic": 0.08475286609208146,
"volume": 283.1762641976581,
"volume_molar": 7.105530512038523,
"formula_full": "Sr4 Li4 B4 O12",
"formula_reduced": "SrLiBO3",
"formula_anonymous": "ABCD3",
"energy_above_hull": 1.7115065655555557,
"spacegroup": 14
},
{
"id": "jvasp-95088",
"created_at": "2022-09-04T14:36:05.020297Z",
"updated_at": "2022-09-04T14:36:05.020322Z",
"structure_string": "Al4 Se4 Br12 N4\n1.0\n7.661098 0.038533 0.000000\n-3.301317 8.855755 0.000000\n0.000000 0.000000 9.873732\nAl Se Br N\n4 4 12 4\ndirect\n0.386239 0.158777 0.128591 Al\n0.113761 0.341223 0.628591 Al\n0.886239 0.658777 0.371409 Al\n0.613761 0.841223 0.871409 Al\n0.469806 0.631589 0.464425 Se\n0.530193 0.368411 0.535575 Se\n0.969807 0.131588 0.035575 Se\n0.030192 0.868412 0.964425 Se\n0.118485 0.712763 0.533694 Br\n0.685582 0.624936 0.828879 Br\n0.314418 0.375065 0.171121 Br\n0.381515 0.787238 0.033694 Br\n0.429042 0.046419 0.324235 Br\n0.070958 0.453581 0.824235 Br\n0.929042 0.546419 0.175765 Br\n0.814418 0.875065 0.328879 Br\n0.618485 0.212763 0.966306 Br\n0.570958 0.953581 0.675764 Br\n0.185582 0.124935 0.671121 Br\n0.881515 0.287237 0.466306 Br\n0.653530 0.549248 0.453589 N\n0.846470 0.950752 0.953589 N\n0.346470 0.450752 0.546411 N\n0.153530 0.049248 0.046411 N\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Al",
"Se",
"Br",
"N"
],
"chemical_system": "Al-Br-N-Se",
"density": 3.559508440951433,
"density_atomic": 0.03576018459866326,
"volume": 671.1374750816342,
"volume_molar": 16.84035143438581,
"formula_full": "Al4 Se4 Br12 N4",
"formula_reduced": "AlSeBr3N",
"formula_anonymous": "ABCD3",
"energy_above_hull": 1.375495288611111,
"spacegroup": 14
},
{
"id": "jvasp-96184",
"created_at": "2022-09-04T14:36:06.567450Z",
"updated_at": "2022-09-04T14:36:06.567477Z",
"structure_string": "K2 Zr2 Cu2 Se6\n1.0\n3.901965 0.000000 0.000000\n-1.950982 7.258482 0.000000\n0.000000 0.000000 10.226029\nK Zr Cu Se\n2 2 2 6\ndirect\n0.748704 0.497409 0.750000 K\n0.251295 0.502591 0.250000 K\n0.000000 0.000000 0.000000 Zr\n0.000000 0.000000 0.500000 Zr\n0.465415 0.930829 0.750000 Cu\n0.534585 0.069171 0.250000 Cu\n0.373516 0.747033 0.948275 Se\n0.931297 0.862596 0.250000 Se\n0.626483 0.252967 0.448275 Se\n0.626483 0.252967 0.051725 Se\n0.373516 0.747033 0.551725 Se\n0.068702 0.137403 0.750000 Se\n",
"nsites": 12,
"nelements": 4,
"elements": [
"K",
"Zr",
"Cu",
"Se"
],
"chemical_system": "Cu-K-Se-Zr",
"density": 4.939312131626461,
"density_atomic": 0.04143287333857315,
"volume": 289.6250979733102,
"volume_molar": 14.53469256353387,
"formula_full": "K2 Zr2 Cu2 Se6",
"formula_reduced": "KZrCuSe3",
"formula_anonymous": "ABCD3",
"energy_above_hull": 1.1210705083333337,
"spacegroup": 63
},
{
"id": "jvasp-95603",
"created_at": "2022-09-04T14:36:22.031105Z",
"updated_at": "2022-09-04T14:36:22.031125Z",
"structure_string": "K8 Si8 H8 O24\n1.0\n5.779972 4.843379 0.000000\n-5.779972 4.843379 0.000000\n0.000000 0.000000 11.251870\nK Si H O\n8 8 8 24\ndirect\n0.318488 0.318488 0.543366 K\n0.681513 0.681513 0.456634 K\n0.181512 0.181512 0.043366 K\n0.818488 0.818488 0.956634 K\n0.012494 0.512493 0.250000 K\n0.487507 0.987507 0.750000 K\n0.987507 0.487507 0.750000 K\n0.512493 0.012494 0.250000 K\n0.198990 0.801010 0.500000 Si\n0.698990 0.301010 0.000000 Si\n0.801010 0.198990 0.500000 Si\n0.301010 0.698990 0.000000 Si\n0.515520 0.515520 0.186149 Si\n0.015520 0.015520 0.313851 Si\n0.484480 0.484480 0.813851 Si\n0.984480 0.984480 0.686149 Si\n0.500000 0.000000 0.000000 H\n0.000000 0.500000 0.500000 H\n0.000000 0.500000 0.000000 H\n0.500000 0.000000 0.500000 H\n0.331741 0.331741 0.310930 H\n0.831741 0.831741 0.189070 H\n0.168259 0.168259 0.810930 H\n0.668260 0.668260 0.689070 H\n0.679059 0.679059 0.200303 O\n0.320941 0.320941 0.799697 O\n0.561764 0.561764 0.683054 O\n0.438236 0.438236 0.316946 O\n0.938236 0.938236 0.183054 O\n0.061764 0.061764 0.816946 O\n0.409257 0.861103 0.464948 O\n0.138897 0.590743 0.535052 O\n0.638897 0.090743 0.964948 O\n0.909257 0.361103 0.035052 O\n0.590743 0.138897 0.535052 O\n0.361103 0.909257 0.035052 O\n0.090743 0.638897 0.964948 O\n0.565905 0.338167 0.112875 O\n0.661833 0.434095 0.887125 O\n0.161833 0.934095 0.612875 O\n0.065905 0.838167 0.387125 O\n0.434095 0.661833 0.887125 O\n0.338167 0.565905 0.112875 O\n0.838167 0.065905 0.387125 O\n0.934095 0.161833 0.612875 O\n0.179059 0.179059 0.299697 O\n0.861103 0.409257 0.464948 O\n0.820941 0.820941 0.700303 O\n",
"nsites": 48,
"nelements": 4,
"elements": [
"K",
"Si",
"H",
"O"
],
"chemical_system": "H-K-O-Si",
"density": 2.450071290772927,
"density_atomic": 0.07619252160816171,
"volume": 629.9830874065501,
"volume_molar": 7.903847559961725,
"formula_full": "K8 Si8 H8 O24",
"formula_reduced": "KSiHO3",
"formula_anonymous": "ABCD3",
"energy_above_hull": 1.8391045166666664,
"spacegroup": 64
}
]
}