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{
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"results": [
{
"id": "jvasp-114284",
"created_at": "2022-09-04T14:38:40.354637Z",
"updated_at": "2022-09-04T14:38:40.354663Z",
"structure_string": "Ge1 F3\n1.0\n5.004129 0.267279 -0.653394\n-1.766038 -2.441588 0.143145\n-0.172466 -2.190454 -4.376755\nGe F\n1 3\ndirect\n0.111724 0.456691 0.727786 Ge\n0.256091 0.277027 0.416684 F\n0.611732 0.957169 0.727759 F\n-0.032715 0.637336 0.038880 F\n",
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{
"id": "jvasp-112556",
"created_at": "2022-09-04T14:38:40.701478Z",
"updated_at": "2022-09-04T14:38:40.701496Z",
"structure_string": "Na2 Cd4 Si6 O18\n1.0\n6.842048 0.010690 -1.502120\n-0.186487 6.960511 -0.621067\n-0.014842 -0.007443 7.874888\nNa Cd Si O\n2 4 6 18\ndirect\n0.262450 0.350278 0.565957 Na\n0.737550 0.649722 0.434043 Na\n0.589120 0.149714 0.858295 Cd\n0.410880 0.850286 0.141704 Cd\n0.086405 0.137747 0.851068 Cd\n0.913595 0.862253 0.148932 Cd\n0.735871 0.147416 0.456576 Si\n0.264129 0.852584 0.543424 Si\n0.952500 0.348203 0.217170 Si\n0.405054 0.341755 0.220168 Si\n0.594946 0.658245 0.779832 Si\n0.047500 0.651797 0.782830 Si\n0.210565 0.878124 0.336232 O\n0.848442 0.550906 0.175839 O\n0.151558 0.449095 0.824161 O\n0.497487 0.547532 0.191172 O\n0.502513 0.452468 0.808828 O\n0.708745 0.945899 0.332619 O\n0.291255 0.054101 0.667381 O\n0.789435 0.121876 0.663768 O\n0.107953 0.823990 0.939717 O\n0.091358 0.716299 0.595983 O\n0.533298 0.274212 0.408374 O\n0.466702 0.725788 0.591626 O\n0.892047 0.176010 0.060283 O\n0.809234 0.612481 0.732976 O\n0.389586 0.168414 0.065498 O\n0.610414 0.831586 0.934502 O\n0.908642 0.283701 0.404017 O\n0.190766 0.387519 0.267024 O\n",
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"volume": 374.861753813919,
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"formula_full": "Na2 Cd4 Si6 O18",
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{
"id": "jvasp-111675",
"created_at": "2022-09-04T14:38:40.722473Z",
"updated_at": "2022-09-04T14:38:40.722499Z",
"structure_string": "In2 As2 H4 O10\n1.0\n5.505528 0.000641 -0.435932\n-1.769789 5.411117 -0.848389\n-0.011651 -0.054934 6.749738\nIn As H O\n2 2 4 10\ndirect\n0.631012 0.725988 0.221474 In\n0.368989 0.274013 0.778526 In\n0.738017 0.879649 0.742824 As\n0.261984 0.120352 0.257176 As\n0.891555 0.362302 0.271964 H\n0.108446 0.637699 0.728037 H\n0.071462 0.615673 0.210947 H\n0.928539 0.384328 0.789054 H\n0.940907 0.071456 0.270021 O\n0.059093 0.928545 0.729980 O\n0.458409 0.240490 0.479223 O\n0.541592 0.759511 0.520778 O\n0.651525 0.651881 0.891718 O\n0.691367 0.147829 0.859599 O\n0.348476 0.348120 0.108283 O\n0.917985 0.542631 0.276367 O\n0.308634 0.852172 0.140402 O\n0.082015 0.457370 0.723634 O\n",
"nsites": 18,
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"elements": [
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"density_atomic": 0.08965793944220783,
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"formula_full": "In2 As2 H4 O10",
"formula_reduced": "InAsH2O5",
"formula_anonymous": "ABC2D5",
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"spacegroup": 2
},
{
"id": "jvasp-114731",
"created_at": "2022-09-04T14:38:41.076687Z",
"updated_at": "2022-09-04T14:38:41.076715Z",
"structure_string": "Ca1 O2\n1.0\n3.800571 -1.074178 0.243078\n0.908757 -3.350469 -0.529509\n-1.499544 0.827684 -3.236982\nCa O\n1 2\ndirect\n0.053383 -0.177252 0.077813 Ca\n0.251211 0.143515 0.754428 O\n-0.144439 0.502037 0.401217 O\n",
"nsites": 3,
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"elements": [
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"density": 3.163525411419553,
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"volume": 37.83321662708207,
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"formula_full": "Ca1 O2",
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"spacegroup": 2
},
{
"id": "jvasp-112434",
"created_at": "2022-09-04T14:38:41.204260Z",
"updated_at": "2022-09-04T14:38:41.204288Z",
"structure_string": "Li2 V6 O4 F12\n1.0\n5.116882 0.000882 0.086645\n0.026188 6.918328 1.383090\n-0.053077 0.007276 7.380869\nLi V O F\n2 6 4 12\ndirect\n0.227839 0.166502 0.165131 Li\n0.772161 0.833498 0.834868 Li\n0.279776 0.665634 0.180694 V\n0.756663 0.826645 0.322325 V\n0.253757 0.683378 0.683596 V\n0.746243 0.316623 0.316404 V\n0.243337 0.173356 0.677675 V\n0.720223 0.334367 0.819305 V\n0.865121 0.070111 0.315571 O\n0.408415 0.427688 0.701090 O\n0.591584 0.572313 0.298909 O\n0.134879 0.929889 0.684428 O\n0.058884 0.193179 0.917081 F\n0.422674 0.926807 0.191854 F\n0.941116 0.806822 0.082918 F\n0.091185 0.683912 0.428325 F\n0.079050 0.422164 0.187459 F\n0.573692 0.311562 0.072049 F\n0.592851 0.797621 0.572084 F\n0.407148 0.202380 0.427916 F\n0.426307 0.688438 0.927951 F\n0.920949 0.577837 0.812541 F\n0.908814 0.316088 0.571675 F\n0.577326 0.073194 0.808145 F\n",
"nsites": 24,
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"elements": [
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],
"chemical_system": "F-Li-O-V",
"density": 3.886612875398757,
"density_atomic": 0.09186080876046808,
"volume": 261.2648454095508,
"volume_molar": 6.555723644566478,
"formula_full": "Li2 V6 O4 F12",
"formula_reduced": "LiV3(OF3)2",
"formula_anonymous": "AB2C3D6",
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"spacegroup": 2
},
{
"id": "jvasp-112533",
"created_at": "2022-09-04T14:38:41.176564Z",
"updated_at": "2022-09-04T14:38:41.176598Z",
"structure_string": "Yb2 Co1 Te2 S2 O14\n1.0\n5.016057 0.098694 -1.732817\n-1.440607 6.845123 -2.886135\n-0.142580 0.023297 7.925200\nYb Co Te S O\n2 1 2 2 14\ndirect\n0.136908 0.245775 0.512530 Yb\n0.863092 0.754225 0.487469 Yb\n0.500000 0.500000 -0.000001 Co\n0.107327 0.769510 0.142731 Te\n0.892673 0.230489 0.857268 Te\n0.565781 0.249577 0.248446 S\n0.434219 0.750423 0.751553 S\n0.552826 0.324143 0.779782 O\n0.447173 0.675857 0.220216 O\n0.119331 0.447276 0.852375 O\n0.880669 0.552723 0.147624 O\n0.568599 0.706327 0.934231 O\n0.431401 0.293673 0.065768 O\n0.724481 0.427967 0.425183 O\n0.750593 0.115504 0.205387 O\n0.149505 0.913295 0.402470 O\n0.275519 0.572032 0.574816 O\n0.668394 0.837702 0.730331 O\n0.331606 0.162298 0.269668 O\n0.249407 0.884496 0.794612 O\n0.850495 0.086705 0.597529 O\n",
"nsites": 21,
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"elements": [
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"S",
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],
"chemical_system": "Co-O-S-Te-Yb",
"density": 5.789775547582744,
"density_atomic": 0.07720941103889062,
"volume": 271.98756883953223,
"volume_molar": 7.799749640580252,
"formula_full": "Yb2 Co1 Te2 S2 O14",
"formula_reduced": "Yb2CoTe2(SO7)2",
"formula_anonymous": "AB2C2D2E14",
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"spacegroup": 2
},
{
"id": "jvasp-112751",
"created_at": "2022-09-04T14:38:41.305704Z",
"updated_at": "2022-09-04T14:38:41.305732Z",
"structure_string": "Li6 Nb2 V4 O12\n1.0\n5.175595 0.002280 -2.455339\n2.118700 6.260053 1.055215\n0.097084 0.185265 6.690330\nLi Nb V O\n6 2 4 12\ndirect\n0.750010 0.333310 0.166675 Li\n0.250004 0.333335 0.166669 Li\n0.758208 0.982661 0.495240 Li\n0.240604 0.997845 0.491347 Li\n0.741783 0.683990 0.838128 Li\n0.259381 0.668822 0.841982 Li\n0.474378 0.342346 0.658657 Nb\n0.025618 0.324325 0.674668 Nb\n0.467237 0.008267 -0.005600 V\n0.455836 0.688246 0.312524 V\n0.044162 0.978425 0.020806 V\n0.032766 0.658405 0.338932 V\n0.876785 0.313889 0.913801 O\n0.641457 0.006675 0.781483 O\n0.113996 -0.013126 0.745258 O\n0.858544 0.659995 0.551846 O\n0.386006 0.679797 0.588070 O\n0.627992 0.687138 0.103734 O\n0.112210 0.664363 0.072958 O\n0.872010 0.979531 0.229598 O\n0.387792 0.002305 0.260368 O\n0.623212 0.352782 0.419528 O\n0.105297 0.330776 0.390174 O\n0.394701 0.335896 0.943155 O\n",
"nsites": 24,
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"elements": [
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"O"
],
"chemical_system": "Li-Nb-O-V",
"density": 4.785604942821469,
"density_atomic": 0.1109837274702545,
"volume": 216.24791802413017,
"volume_molar": 5.426147505826053,
"formula_full": "Li6 Nb2 V4 O12",
"formula_reduced": "Li3NbV2O6",
"formula_anonymous": "AB2C3D6",
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"spacegroup": 2
},
{
"id": "jvasp-112547",
"created_at": "2022-09-04T14:38:41.330430Z",
"updated_at": "2022-09-04T14:38:41.330450Z",
"structure_string": "Rb3 In1 I6 O18\n1.0\n6.701798 -0.038267 -2.161653\n-2.161238 6.715720 0.288720\n0.048456 0.059776 10.618279\nRb In I O\n3 1 6 18\ndirect\n0.000000 0.000000 0.000000 Rb\n0.839413 0.020269 0.603774 Rb\n0.160588 0.979732 0.396227 Rb\n0.500000 0.500000 0.000000 In\n0.595939 0.453854 0.367941 I\n0.441622 0.031782 0.808921 I\n0.404062 0.546146 0.632059 I\n0.961083 0.523352 0.808841 I\n0.038918 0.476649 0.191160 I\n0.558378 0.968218 0.191080 I\n0.714777 0.153331 0.811920 O\n0.335258 0.435337 0.389944 O\n0.664743 0.564663 0.610057 O\n0.465108 0.389876 0.185794 O\n0.534893 0.610125 0.814206 O\n0.306681 0.157208 0.671975 O\n0.693320 0.842792 0.328026 O\n0.285224 0.846669 0.188080 O\n0.042507 0.448288 0.675408 O\n0.572661 0.822867 0.051056 O\n0.077778 0.795987 0.812335 O\n0.922222 0.204014 0.187666 O\n0.405263 0.801848 0.595133 O\n0.957494 0.551712 0.324593 O\n0.162756 0.455104 0.951684 O\n0.837245 0.544896 0.048316 O\n0.427340 0.177133 0.948944 O\n0.594737 0.198152 0.404867 O\n",
"nsites": 28,
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"elements": [
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],
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"density": 4.9363382025499165,
"density_atomic": 0.058590956877641265,
"volume": 477.8894473164852,
"volume_molar": 10.278276855208851,
"formula_full": "Rb3 In1 I6 O18",
"formula_reduced": "Rb3In(IO3)6",
"formula_anonymous": "AB3C6D18",
"energy_above_hull": 1.7171332364285716,
"spacegroup": 2
},
{
"id": "jvasp-111666",
"created_at": "2022-09-04T14:38:41.358845Z",
"updated_at": "2022-09-04T14:38:41.358875Z",
"structure_string": "K2 Mg1 Mo2 H4 O10\n1.0\n5.849353 -0.016197 -0.676875\n-2.407680 5.567999 -2.294757\n0.008976 0.022888 7.683891\nK Mg Mo H O\n2 1 2 4 10\ndirect\n0.341472 0.711609 0.239495 K\n0.658528 0.288391 0.760506 K\n0.000000 0.000000 0.000000 Mg\n0.325141 0.661574 0.759155 Mo\n0.674859 0.338426 0.240845 Mo\n0.926090 0.863693 0.297022 H\n0.073910 0.136307 0.702978 H\n0.127378 0.131503 0.390950 H\n0.872622 0.868497 0.609050 H\n0.903958 0.298680 0.111869 O\n0.096042 0.701320 0.888131 O\n0.380844 0.230450 0.071552 O\n0.619156 0.769550 0.928448 O\n0.350963 0.812167 0.608902 O\n0.237979 0.347506 0.622232 O\n0.649037 0.187833 0.391098 O\n0.052477 0.983731 0.267314 O\n0.762021 0.652494 0.377768 O\n0.947523 0.016269 0.732686 O\n",
"nsites": 19,
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"elements": [
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],
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"density": 3.040712568082623,
"density_atomic": 0.0758976432966591,
"volume": 250.33715376029798,
"volume_molar": 7.9345556705383045,
"formula_full": "K2 Mg1 Mo2 H4 O10",
"formula_reduced": "K2MgMo2(H2O5)2",
"formula_anonymous": "AB2C2D4E10",
"energy_above_hull": 2.792805360526316,
"spacegroup": 2
},
{
"id": "jvasp-112503",
"created_at": "2022-09-04T14:38:41.381347Z",
"updated_at": "2022-09-04T14:38:41.381368Z",
"structure_string": "Li8 Mn6 O14\n1.0\n2.959000 -0.004377 0.086217\n1.432840 6.194973 0.619449\n0.023258 0.013211 13.559733\nLi Mn O\n8 6 14\ndirect\n0.678818 0.660649 0.429619 Li\n0.565595 0.214764 0.140671 Li\n0.434407 0.785235 0.859329 Li\n0.067385 0.935396 0.296538 Li\n0.000000 0.500000 0.000000 Li\n0.932617 0.064602 0.703462 Li\n0.321184 0.339350 0.570382 Li\n0.000000 -0.000000 0.500000 Li\n0.800528 0.576128 0.220779 Mn\n0.199473 0.423871 0.779221 Mn\n0.733127 0.143412 0.926897 Mn\n0.382465 0.278572 0.365638 Mn\n0.617536 0.721427 0.634362 Mn\n0.266874 0.856587 0.073104 Mn\n0.575403 0.451243 0.889708 O\n0.657490 0.882717 0.178479 O\n0.094047 0.728960 0.735662 O\n0.108557 0.165956 0.037581 O\n0.209035 0.598970 0.322555 O\n0.790967 0.401029 0.677445 O\n0.342511 0.117282 0.821521 O\n0.522633 0.990385 0.390178 O\n0.891444 0.834043 0.962420 O\n0.905954 0.271039 0.264338 O\n0.153827 0.678713 0.547074 O\n0.477368 0.009613 0.609822 O\n0.424598 0.548756 0.110292 O\n0.846174 0.321286 0.452927 O\n",
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"elements": [
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],
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"density": 4.068637549693903,
"density_atomic": 0.11262510446865297,
"volume": 248.612422000401,
"volume_molar": 5.347067857039057,
"formula_full": "Li8 Mn6 O14",
"formula_reduced": "Li4Mn3O7",
"formula_anonymous": "A3B4C7",
"energy_above_hull": 2.7097604445812804,
"spacegroup": 2
},
{
"id": "jvasp-112726",
"created_at": "2022-09-04T14:38:41.946661Z",
"updated_at": "2022-09-04T14:38:41.946684Z",
"structure_string": "Mn8 Ir2 N8\n1.0\n5.196009 -0.026889 2.120587\n2.214870 4.378905 2.938358\n0.009296 0.024164 7.752843\nMn Ir N\n8 2 8\ndirect\n0.737786 0.582830 0.224801 Mn\n0.262216 0.417168 0.775200 Mn\n0.694349 0.204073 0.018428 Mn\n0.305653 0.795925 0.981572 Mn\n0.754655 0.515222 0.579730 Mn\n0.245347 0.484776 0.420270 Mn\n0.287381 0.950865 0.591507 Mn\n0.712621 0.049133 0.408494 Mn\n0.208387 0.060305 0.220789 Ir\n0.791615 0.939693 0.779212 Ir\n0.953334 0.665757 0.609582 N\n0.046668 0.334241 0.390419 N\n0.940058 0.800338 0.024255 N\n0.059944 0.199659 0.975746 N\n0.471192 0.559914 0.807323 N\n0.528810 0.440084 0.192678 N\n0.560282 0.866832 0.361425 N\n0.439720 0.133166 0.638575 N\n",
"nsites": 18,
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"elements": [
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],
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"density": 8.805040396317537,
"density_atomic": 0.10197240030606947,
"volume": 176.51835149484685,
"volume_molar": 5.9056575523618005,
"formula_full": "Mn8 Ir2 N8",
"formula_reduced": "Mn4IrN4",
"formula_anonymous": "AB4C4",
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"spacegroup": 2
},
{
"id": "jvasp-112125",
"created_at": "2022-09-04T14:38:41.706789Z",
"updated_at": "2022-09-04T14:38:41.706806Z",
"structure_string": "H16 Pb2 C12 O8\n1.0\n4.290578 0.114077 0.391140\n1.446163 7.646215 1.750649\n0.032281 0.035410 10.787550\nH Pb C O\n16 2 12 8\ndirect\n0.321520 0.834320 0.316276 H\n0.872302 0.124590 0.698588 H\n0.873023 0.625132 0.698322 H\n0.782904 0.357293 0.658893 H\n0.781968 0.857813 0.658889 H\n0.298057 0.855420 0.548529 H\n0.370029 0.124008 0.592088 H\n0.370500 0.623768 0.592178 H\n0.298382 0.355656 0.548507 H\n0.824043 0.835747 0.422403 H\n0.896201 0.103860 0.466085 H\n0.896548 0.604095 0.466063 H\n0.411679 0.102180 0.355720 H\n0.412657 0.601641 0.355723 H\n0.322244 0.334883 0.316003 H\n0.824506 0.335508 0.422495 H\n0.098076 0.479679 0.007217 Pb\n0.096540 0.979824 0.007386 Pb\n0.676387 0.240344 0.680367 C\n0.468849 0.248215 0.801056 C\n0.469345 0.747647 0.801203 C\n0.489065 0.236419 0.567173 C\n0.489093 0.736346 0.567194 C\n0.676406 0.740533 0.680322 C\n0.725229 0.711833 0.213396 C\n0.705484 0.723156 0.447397 C\n0.518173 0.219137 0.334231 C\n0.518173 0.718938 0.334277 C\n0.725717 0.211252 0.213546 C\n0.705496 0.223087 0.447418 C\n0.555909 0.632964 0.903793 O\n0.981644 0.595866 0.215282 O\n0.981318 0.094639 0.215810 O\n0.638657 0.826504 0.110803 O\n0.640342 0.325777 0.110761 O\n0.212951 0.863628 0.799321 O\n0.213243 0.364823 0.798806 O\n0.554245 0.133678 0.903833 O\n",
"nsites": 38,
"nelements": 4,
"elements": [
"H",
"Pb",
"C",
"O"
],
"chemical_system": "C-H-O-Pb",
"density": 3.316710041730934,
"density_atomic": 0.10801959848152166,
"volume": 351.7880137880762,
"volume_molar": 5.575044570296358,
"formula_full": "H16 Pb2 C12 O8",
"formula_reduced": "H8Pb(C3O2)2",
"formula_anonymous": "AB4C6D8",
"energy_above_hull": 4.394882885263158,
"spacegroup": 2
}
]
}