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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-spacegroup&page=4605",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-spacegroup&page=4603",
"results": [
{
"id": "jvasp-10738",
"created_at": "2022-09-04T14:38:12.962015Z",
"updated_at": "2022-09-04T14:38:12.962037Z",
"structure_string": "Zn1 Bi4 O8\n1.0\n3.629327 -0.149873 -0.161309\n-1.733469 6.801101 -0.697710\n-1.742023 -2.604530 8.406671\nZn Bi O\n1 4 8\ndirect\n0.573914 0.256942 0.759531 Zn\n0.321680 0.732082 0.941977 Bi\n0.206891 0.088550 0.347006 Bi\n0.705735 0.790145 0.589402 Bi\n0.796633 0.444852 0.182407 Bi\n0.369423 0.430858 0.340497 O\n0.402130 0.944837 0.805139 O\n0.617593 0.076653 0.184336 O\n0.653070 0.565579 0.767590 O\n0.916780 0.770719 0.106332 O\n0.935304 0.139094 0.619534 O\n0.128053 0.420013 0.965231 O\n0.100929 0.770325 0.414911 O\n",
"nsites": 13,
"nelements": 3,
"elements": [
"Zn",
"Bi",
"O"
],
"chemical_system": "Bi-O-Zn",
"density": 8.724841044400574,
"density_atomic": 0.06635886049393892,
"volume": 195.90450925822321,
"volume_molar": 9.075111771321104,
"formula_full": "Zn1 Bi4 O8",
"formula_reduced": "Zn(BiO2)4",
"formula_anonymous": "AB4C8",
"energy_above_hull": 1.922124276923077,
"spacegroup": 1
},
{
"id": "jvasp-46829",
"created_at": "2022-09-04T14:38:13.433042Z",
"updated_at": "2022-09-04T14:38:13.433060Z",
"structure_string": "Li3 V6 O3 F15\n1.0\n4.522745 -0.022106 -0.002188\n0.223054 8.547995 0.001609\n0.120203 4.271135 7.468863\nLi V O F\n3 6 3 15\ndirect\n0.500311 0.333011 0.334761 Li\n0.003452 0.000332 0.000182 Li\n0.491686 0.664276 0.667669 Li\n0.515187 0.305155 0.689766 V\n0.513144 0.985894 0.331207 V\n0.986942 0.003836 0.664578 V\n0.514320 0.664895 0.009197 V\n0.986112 0.349278 0.011074 V\n0.985309 0.660092 0.355305 V\n0.746968 0.467234 0.086857 O\n0.738849 0.785256 0.420130 O\n0.760716 0.116864 0.753896 O\n0.259210 0.539251 0.566442 F\n0.731114 0.783943 0.771287 F\n0.739747 0.440696 0.783073 F\n0.234097 0.226866 0.894768 F\n0.250541 0.893331 0.546982 F\n0.739869 0.437928 0.453770 F\n0.268150 0.222421 0.218001 F\n0.263546 0.216653 0.557662 F\n0.260506 0.561764 0.228907 F\n0.769233 0.776845 0.114791 F\n0.748255 0.110434 0.434074 F\n0.253216 0.564063 0.890508 F\n0.759912 0.118676 0.106032 F\n0.237047 0.883728 0.223775 F\n0.242524 0.887260 0.885198 F\n",
"nsites": 27,
"nelements": 4,
"elements": [
"Li",
"V",
"O",
"F"
],
"chemical_system": "F-Li-O-V",
"density": 3.792265733490388,
"density_atomic": 0.09350482610767548,
"volume": 288.755149054105,
"volume_molar": 6.44045982510593,
"formula_full": "Li3 V6 O3 F15",
"formula_reduced": "LiV2OF5",
"formula_anonymous": "ABC2D5",
"energy_above_hull": 1.1289248124999998,
"spacegroup": 1
},
{
"id": "jvasp-53137",
"created_at": "2022-09-04T14:38:13.651247Z",
"updated_at": "2022-09-04T14:38:13.651257Z",
"structure_string": "Na1 Ho2 F7\n1.0\n4.176940 -0.354821 -0.044592\n-1.227836 -4.023758 0.412177\n-0.174903 1.032681 -8.718924\nNa Ho F\n1 2 7\ndirect\n0.077489 0.208072 0.008716 Na\n0.334196 0.753917 0.680870 Ho\n0.586083 0.180566 0.335538 Ho\n0.269541 0.669603 0.907041 F\n0.412485 0.235015 0.606909 F\n0.954291 0.472505 0.509887 F\n0.870447 0.941531 0.750625 F\n0.052156 0.032075 0.259167 F\n0.498087 0.701031 0.409211 F\n0.611889 0.311019 0.115365 F\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Na",
"Ho",
"F"
],
"chemical_system": "F-Ho-Na",
"density": 5.426371342099685,
"density_atomic": 0.06726169876493447,
"volume": 148.67302169913822,
"volume_molar": 8.953298638867446,
"formula_full": "Na1 Ho2 F7",
"formula_reduced": "NaHo2F7",
"formula_anonymous": "AB2C7",
"energy_above_hull": 0.1096676414166671,
"spacegroup": 1
},
{
"id": "jvasp-10736",
"created_at": "2022-09-04T14:38:13.733130Z",
"updated_at": "2022-09-04T14:38:13.733147Z",
"structure_string": "Mg1 Sb4 O8\n1.0\n3.272545 0.159839 -0.072277\n-0.381436 7.197658 -0.386405\n-1.307704 -3.140031 8.155707\nMg Sb O\n1 4 8\ndirect\n0.718525 0.128569 0.986179 Mg\n0.942474 0.098856 0.311739 Sb\n0.576290 0.522138 0.716672 Sb\n0.321884 0.521456 0.182942 Sb\n0.020160 0.883166 0.602386 Sb\n0.435431 0.730532 0.419622 O\n0.855435 0.362938 0.241791 O\n0.022082 0.594393 0.605001 O\n0.476924 0.262401 0.511294 O\n0.287264 0.036397 0.127115 O\n0.209429 0.293112 0.960430 O\n0.607464 0.886177 0.769749 O\n0.798519 0.655975 0.134431 O\n",
"nsites": 13,
"nelements": 3,
"elements": [
"Mg",
"Sb",
"O"
],
"chemical_system": "Mg-O-Sb",
"density": 5.64871212510715,
"density_atomic": 0.06916902989117618,
"volume": 187.94538567987632,
"volume_molar": 8.70641205966695,
"formula_full": "Mg1 Sb4 O8",
"formula_reduced": "Mg(SbO2)4",
"formula_anonymous": "AB4C8",
"energy_above_hull": 2.2318601115384618,
"spacegroup": 1
},
{
"id": "jvasp-12701",
"created_at": "2022-09-04T14:38:14.297972Z",
"updated_at": "2022-09-04T14:38:14.297995Z",
"structure_string": "Li4 Mn2 P2 O8 F2\n1.0\n5.354030 -0.071173 -0.067175\n-0.488859 5.434052 0.038918\n-2.322773 -2.436921 6.627417\nLi Mn P O F\n4 2 2 8 2\ndirect\n0.136068 0.534741 0.097724 Li\n0.523179 0.191508 0.862006 Li\n0.501560 0.904771 0.477216 Li\n0.747909 0.428968 0.666844 Li\n0.000874 0.996600 0.016770 Mn\n0.008098 0.000493 0.501074 Mn\n0.659204 0.365347 0.259678 P\n0.345860 0.651176 0.781827 P\n0.368837 0.274562 0.093380 O\n0.698816 0.651047 0.398725 O\n0.623927 0.762574 0.953172 O\n0.855825 0.336936 0.143826 O\n0.705775 0.195302 0.397550 O\n0.345157 0.363929 0.660144 O\n0.307098 0.831905 0.651298 O\n0.107966 0.647194 0.860480 O\n0.819538 0.118751 0.746872 F\n0.172197 0.875837 0.272837 F\n",
"nsites": 18,
"nelements": 5,
"elements": [
"Li",
"Mn",
"P",
"O",
"F"
],
"chemical_system": "F-Li-Mn-O-P",
"density": 3.1588993813751394,
"density_atomic": 0.09366497528702429,
"volume": 192.17428867985404,
"volume_molar": 6.429447871571977,
"formula_full": "Li4 Mn2 P2 O8 F2",
"formula_reduced": "Li2MnPO4F",
"formula_anonymous": "ABCD2E4",
"energy_above_hull": 2.114688558208812,
"spacegroup": 1
},
{
"id": "jvasp-9454",
"created_at": "2022-09-04T14:38:14.235775Z",
"updated_at": "2022-09-04T14:38:14.235803Z",
"structure_string": "Ba2 Ti3 Tl2 O10\n1.0\n3.971343 0.002938 -0.075525\n0.000412 3.978025 0.002816\n-0.393498 -0.250935 16.329087\nBa Ti Tl O\n2 3 2 10\ndirect\n0.820672 0.773015 0.258569 Ba\n0.283489 0.297584 0.738628 Ba\n0.827631 0.805725 0.859513 Ti\n0.303821 0.243992 0.134395 Ti\n0.746453 0.320806 0.995285 Ti\n0.171831 0.278857 0.435945 Tl\n0.771826 0.787983 0.585997 Tl\n0.305143 0.794024 0.139638 O\n0.339073 0.296204 0.248887 O\n0.804989 0.294476 0.114918 O\n0.298566 0.307253 0.007944 O\n0.761018 0.796552 0.726817 O\n0.276087 0.803831 0.846824 O\n0.510516 0.780140 0.471316 O\n0.783716 0.304950 0.868605 O\n0.052264 0.287503 0.584798 O\n0.792423 0.808384 0.974974 O\n",
"nsites": 17,
"nelements": 4,
"elements": [
"Ba",
"Ti",
"Tl",
"O"
],
"chemical_system": "Ba-O-Ti-Tl",
"density": 6.356245746485121,
"density_atomic": 0.06592899973041133,
"volume": 257.85314610435904,
"volume_molar": 9.1342820073488,
"formula_full": "Ba2 Ti3 Tl2 O10",
"formula_reduced": "Ba2Ti3Tl2O10",
"formula_anonymous": "A2B2C3D10",
"energy_above_hull": 2.3407939494117653,
"spacegroup": 1
},
{
"id": "jvasp-54757",
"created_at": "2022-09-04T14:38:14.565365Z",
"updated_at": "2022-09-04T14:38:14.565386Z",
"structure_string": "Ba2 H8 O12\n1.0\n5.425253 -0.214452 0.121401\n1.922151 5.424891 0.129660\n0.445585 0.679576 7.830157\nBa H O\n2 8 12\ndirect\n0.837667 0.178822 0.228658 Ba\n0.181237 0.799132 0.766286 Ba\n0.362789 0.268102 0.947126 H\n0.221040 0.584997 0.360218 H\n0.742591 0.719793 0.281978 H\n0.805865 0.566153 0.539902 H\n0.868103 0.360541 0.850092 H\n0.579422 0.450189 0.520918 H\n0.252422 0.331073 0.475995 H\n0.617518 0.689102 0.029834 H\n0.482500 0.586823 0.050385 O\n0.278590 0.497736 0.472293 O\n0.058808 0.319247 0.805415 O\n0.618710 -0.040711 0.672549 O\n0.907710 0.667842 0.212150 O\n0.254931 0.046680 0.440787 O\n0.204460 0.196263 0.961114 O\n0.785999 -0.123024 0.544818 O\n0.828098 0.802493 0.040604 O\n0.770807 0.410754 0.526187 O\n0.426881 0.971287 0.308962 O\n0.572378 0.401798 0.922689 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Ba",
"H",
"O"
],
"chemical_system": "Ba-H-O",
"density": 3.3823578752911194,
"density_atomic": 0.09439836385276153,
"volume": 233.0548867808201,
"volume_molar": 6.379496968181646,
"formula_full": "Ba2 H8 O12",
"formula_reduced": "Ba(H2O3)2",
"formula_anonymous": "AB4C6",
"energy_above_hull": 2.6033151790909086,
"spacegroup": 1
},
{
"id": "jvasp-52424",
"created_at": "2022-09-04T14:38:14.843172Z",
"updated_at": "2022-09-04T14:38:14.843192Z",
"structure_string": "V2 Bi4 O11\n1.0\n5.671017 0.069555 0.080768\n2.112572 6.050847 0.127163\n0.486080 0.891786 7.958204\nV Bi O\n2 4 11\ndirect\n0.937837 0.554923 0.598213 V\n0.123985 0.105988 0.156463 V\n0.109814 0.993579 0.676284 Bi\n0.672865 0.736903 0.993506 Bi\n0.453717 0.354948 0.823216 Bi\n0.587014 0.231438 0.321493 Bi\n0.236603 0.393336 0.540779 O\n0.976949 0.531305 0.819004 O\n0.750543 0.401582 0.564102 O\n0.485315 0.431505 0.079020 O\n0.905844 0.970636 0.192186 O\n0.269236 0.075680 0.953059 O\n0.446453 0.719250 0.779380 O\n0.792974 0.017603 0.845085 O\n0.369352 -0.004678 0.299973 O\n0.884847 0.837404 0.528748 O\n0.963252 0.372601 0.192587 O\n",
"nsites": 17,
"nelements": 3,
"elements": [
"V",
"Bi",
"O"
],
"chemical_system": "Bi-O-V",
"density": 6.820014141820162,
"density_atomic": 0.06268717018204589,
"volume": 271.1878674796033,
"volume_molar": 9.60665594333175,
"formula_full": "V2 Bi4 O11",
"formula_reduced": "V2Bi4O11",
"formula_anonymous": "A2B4C11",
"energy_above_hull": 2.7556584764705883,
"spacegroup": 1
},
{
"id": "jvasp-47757",
"created_at": "2022-09-04T14:38:15.458231Z",
"updated_at": "2022-09-04T14:38:15.458241Z",
"structure_string": "Li12 Mn2 O9\n1.0\n5.581025 -0.006024 -0.007302\n2.646840 5.018282 -0.001231\n0.397448 0.142185 8.006728\nLi Mn O\n12 2 9\ndirect\n0.698927 0.943935 0.919488 Li\n0.069128 0.332818 0.396341 Li\n0.621887 0.075905 0.403310 Li\n0.716323 0.297393 0.069138 Li\n0.035705 0.621186 0.086592 Li\n0.680546 0.375797 0.582564 Li\n0.294704 0.059949 0.077995 Li\n0.999718 0.028162 0.772438 Li\n0.027935 0.961289 0.260207 Li\n0.343602 0.936483 0.571128 Li\n0.949483 0.708873 0.583973 Li\n0.366264 0.677729 0.917930 Li\n0.621102 0.669974 0.273670 Mn\n0.303749 0.329751 0.757373 Mn\n0.638043 0.039098 0.669291 O\n0.918096 0.708756 0.349336 O\n0.343840 0.006914 0.322079 O\n0.020810 0.960659 0.008415 O\n0.649019 0.675361 0.036593 O\n0.283581 0.667198 0.683215 O\n0.745639 0.312264 0.325559 O\n0.385276 0.322319 0.979966 O\n0.044163 0.299812 0.634033 O\n",
"nsites": 23,
"nelements": 3,
"elements": [
"Li",
"Mn",
"O"
],
"chemical_system": "Li-Mn-O",
"density": 2.495126453303837,
"density_atomic": 0.10250187011579562,
"volume": 224.38614996991828,
"volume_molar": 5.875152085710077,
"formula_full": "Li12 Mn2 O9",
"formula_reduced": "Li12Mn2O9",
"formula_anonymous": "A2B9C12",
"energy_above_hull": 2.045596347076461,
"spacegroup": 1
},
{
"id": "jvasp-52258",
"created_at": "2022-09-04T14:38:16.472889Z",
"updated_at": "2022-09-04T14:38:16.472917Z",
"structure_string": "Hf4 Ti4 O16\n1.0\n4.764194 -0.001230 -0.005407\n-0.007055 5.643960 -0.006462\n-0.178439 -0.037467 10.135112\nHf Ti O\n4 4 16\ndirect\n0.006428 0.324791 0.119754 Hf\n0.500514 0.819972 0.122345 Hf\n0.505320 0.185534 0.380396 Hf\n0.497049 0.812014 0.627074 Hf\n0.997520 0.684709 0.872683 Ti\n0.001029 0.324825 0.628611 Ti\n0.997834 0.671842 0.377109 Ti\n0.501091 0.187600 0.870914 Ti\n0.772311 0.600871 0.532497 O\n0.790902 0.614793 0.031915 O\n0.710895 0.114451 0.032437 O\n0.736892 0.109271 0.550133 O\n0.746124 0.887179 0.294150 O\n0.725780 0.884185 0.797119 O\n0.267087 0.882208 0.456151 O\n0.201151 0.611366 0.714149 O\n0.269454 0.119817 0.709653 O\n0.255024 0.890091 0.954150 O\n0.777588 0.396290 0.286403 O\n0.230121 0.606248 0.219805 O\n0.218037 0.389537 0.471770 O\n0.247295 0.392459 0.954140 O\n0.284278 0.106349 0.209795 O\n0.760251 0.383598 0.786844 O\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Hf",
"Ti",
"O"
],
"chemical_system": "Hf-O-Ti",
"density": 7.07695677789659,
"density_atomic": 0.0880683754629491,
"volume": 272.5155298237214,
"volume_molar": 6.838028666185119,
"formula_full": "Hf4 Ti4 O16",
"formula_reduced": "HfTiO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.919234222222223,
"spacegroup": 1
},
{
"id": "jvasp-12690",
"created_at": "2022-09-04T14:38:16.119891Z",
"updated_at": "2022-09-04T14:38:16.119926Z",
"structure_string": "Li4 Cr2 P2 O8 F2\n1.0\n5.220306 0.017495 0.005720\n-0.388278 5.504658 0.025762\n-2.183429 -2.415443 6.721596\nLi Cr P O F\n4 2 2 8 2\ndirect\n0.114688 0.534899 0.094629 Li\n0.525927 0.215439 0.853473 Li\n0.500812 0.882835 0.467193 Li\n0.753234 0.443261 0.643911 Li\n-0.001742 0.004513 0.022302 Cr\n0.008026 0.994491 0.509804 Cr\n0.641127 0.330265 0.252954 P\n0.365509 0.682960 0.795756 P\n0.349472 0.262986 0.096096 O\n0.685376 0.596591 0.411292 O\n0.639583 0.788167 0.963888 O\n0.836254 0.321433 0.127861 O\n0.692244 0.134063 0.365567 O\n0.376670 0.407307 0.672300 O\n0.322794 0.870637 0.672025 O\n0.120757 0.675949 0.877056 O\n0.838127 0.133758 0.723798 F\n0.159027 0.852079 0.291510 F\n",
"nsites": 18,
"nelements": 5,
"elements": [
"Li",
"Cr",
"P",
"O",
"F"
],
"chemical_system": "Cr-F-Li-O-P",
"density": 3.0852426656664576,
"density_atomic": 0.09297741197786327,
"volume": 193.59540792860065,
"volume_molar": 6.47699331686474,
"formula_full": "Li4 Cr2 P2 O8 F2",
"formula_reduced": "Li2CrPO4F",
"formula_anonymous": "ABCD2E4",
"energy_above_hull": 2.190453020277777,
"spacegroup": 1
},
{
"id": "jvasp-108963",
"created_at": "2022-09-04T14:38:18.111249Z",
"updated_at": "2022-09-04T14:38:18.111268Z",
"structure_string": "Li1 V3 O4 F2\n1.0\n4.430311 0.037806 2.415180\n-1.573689 4.621905 -2.590641\n-0.029025 0.031156 5.036571\nLi V O F\n1 3 4 2\ndirect\n0.834628 0.604518 0.893387 Li\n0.161146 0.426571 0.143199 V\n0.668192 0.993725 0.644832 V\n0.379795 0.064142 0.346118 V\n0.071637 0.210560 0.403505 O\n0.514566 0.751401 0.280942 O\n0.761565 0.225634 0.053993 O\n0.432937 0.246537 0.754915 O\n0.252708 0.741693 0.927666 F\n0.922817 0.735225 0.551444 F\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Li",
"V",
"O",
"F"
],
"chemical_system": "F-Li-O-V",
"density": 4.179572524413123,
"density_atomic": 0.09615672015438408,
"volume": 103.99689157392781,
"volume_molar": 6.262839196606512,
"formula_full": "Li1 V3 O4 F2",
"formula_reduced": "LiV3(O2F)2",
"formula_anonymous": "AB2C3D4",
"energy_above_hull": 2.5081037165,
"spacegroup": 1
}
]
}