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{
"count": 146323,
"next": null,
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-spacegroup&page=12193",
"results": [
{
"id": "mp-1283454",
"created_at": "2022-09-04T14:39:13.274282Z",
"structure_string": "Li8 Ni4 O8 F4\n1.0\n-1.407235 2.472394 -0.012602\n-2.901437 -0.049809 -0.034820\n0.345097 0.056211 28.558830\nLi Ni O F\n8 4 8 4\ndirect\n0.666831 0.666534 0.333319 Li\n0.675295 0.660203 0.833195 Li\n0.663775 0.669552 0.083749 Li\n0.667162 0.667114 0.583029 Li\n0.332490 0.339132 0.165682 Li\n0.333108 0.339292 0.665107 Li\n0.991537 0.000961 0.001737 Li\n0.001162 0.994644 0.501021 Li\n0.333492 0.329239 0.917393 Ni\n0.000228 0.001994 0.249581 Ni\n0.334105 0.330589 0.417040 Ni\n0.003148 0.999683 0.749216 Ni\n0.690967 0.622066 0.454705 O\n0.620589 0.684183 0.955074 O\n0.643092 0.710561 0.211913 O\n0.644336 0.709562 0.711488 O\n0.356733 0.293337 0.287284 O\n0.362281 0.289753 0.787010 O\n0.977300 0.039229 0.379322 O\n0.046512 0.973367 0.879659 O\n0.325719 0.336858 0.042673 F\n0.336510 0.327435 0.541969 F\n0.995916 0.007993 0.124747 F\n0.997713 0.006720 0.624087 F\n",
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{
"id": "mp-775203",
"created_at": "2022-09-04T14:39:13.369197Z",
"structure_string": "Li8 Sc1 Fe7 Si16 O48\n1.0\n7.342791 0.000000 0.000000\n-2.028198 9.324811 0.000000\n-1.248728 -3.275027 12.748763\nLi Sc Fe Si O\n8 1 7 16 48\ndirect\n0.250689 0.999773 0.374572 Li\n0.247925 0.503532 0.128613 Li\n0.750205 0.499729 0.374873 Li\n0.247041 0.995823 0.873890 Li\n0.249843 0.500022 0.624895 Li\n0.749380 0.000704 0.125820 Li\n0.754347 0.502595 0.874617 Li\n0.748566 0.000477 0.625365 Li\n0.426040 0.323859 0.948860 Sc\n0.574561 0.678888 0.052441 Fe\n0.071514 0.175927 0.052366 Fe\n0.926636 0.823462 0.448413 Fe\n0.573402 0.676031 0.551459 Fe\n0.426475 0.323250 0.448739 Fe\n0.073170 0.176381 0.551142 Fe\n0.926019 0.824178 0.948504 Fe\n0.327585 0.942194 0.104181 Si\n0.988818 0.781057 0.193398 Si\n0.513301 0.720016 0.307466 Si\n0.829179 0.443308 0.104862 Si\n0.326335 0.940799 0.603298 Si\n0.173617 0.558809 0.396243 Si\n0.487044 0.281109 0.194389 Si\n0.011690 0.219524 0.307357 Si\n0.987249 0.779916 0.692516 Si\n0.512320 0.717335 0.806324 Si\n0.828217 0.440998 0.602244 Si\n0.172440 0.560250 0.896648 Si\n0.672994 0.059059 0.396761 Si\n0.489183 0.280191 0.690086 Si\n0.008722 0.218340 0.806856 Si\n0.673298 0.055060 0.895368 Si\n0.176084 0.974307 0.016003 O\n0.480179 0.855281 0.057538 O\n0.205653 0.851975 0.177741 O\n0.841517 0.809723 0.101407 O\n0.544713 0.899585 0.323724 O\n0.682682 0.479566 0.016887 O\n0.175211 0.973898 0.515366 O\n0.529265 0.641876 0.187816 O\n0.296333 0.647997 0.322378 O\n0.336382 0.309676 0.104419 O\n0.022680 0.647362 0.443172 O\n0.972581 0.859624 0.312903 O\n0.045132 0.399280 0.323098 O\n0.959614 0.601612 0.178438 O\n0.024304 0.139771 0.187454 O\n0.477018 0.851840 0.556554 O\n0.977754 0.352683 0.057504 O\n0.660230 0.690930 0.399399 O\n0.204189 0.852178 0.677615 O\n0.702706 0.352908 0.176844 O\n0.474661 0.359911 0.314239 O\n0.324401 0.525920 0.484366 O\n0.455262 0.101533 0.177792 O\n0.839996 0.809173 0.600778 O\n0.159526 0.190095 0.398634 O\n0.546041 0.896580 0.821055 O\n0.676458 0.474491 0.515049 O\n0.527769 0.638321 0.686763 O\n0.294858 0.647677 0.821864 O\n0.794874 0.149663 0.323501 O\n0.340731 0.308825 0.598730 O\n0.521545 0.146862 0.443740 O\n0.020288 0.648039 0.942075 O\n0.971627 0.857747 0.812259 O\n0.044823 0.398942 0.825337 O\n0.955970 0.600210 0.676025 O\n0.026272 0.142295 0.686993 O\n0.980081 0.353505 0.555282 O\n0.658984 0.690286 0.899354 O\n0.706604 0.348748 0.674606 O\n0.473364 0.360038 0.808962 O\n0.323014 0.531509 0.986543 O\n0.824123 0.025877 0.484615 O\n0.455112 0.100601 0.675346 O\n0.152142 0.185705 0.898268 O\n0.791468 0.147369 0.821465 O\n0.522970 0.141879 0.943870 O\n0.825000 0.023535 0.983664 O\n",
"nsites": 80,
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"elements": [
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"O"
],
"chemical_system": "Fe-Li-O-Sc-Si",
"density": 3.250538774425192,
"density_atomic": 0.09164752358349068,
"volume": 872.9095656045762,
"volume_molar": 6.570980343526515,
"formula_full": "Li8 Sc1 Fe7 Si16 O48",
"formula_reduced": "Li8ScFe7(SiO3)16",
"formula_anonymous": "AB7C8D16E48",
"energy": -631.67799368,
"energy_per_atom": -7.895974921,
"energy_above_hull": null,
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"band_gap": 2.4191,
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"updated_at": "2021-11-28T01:34:29.717000Z",
"spacegroup": 1
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{
"id": "mp-778010",
"created_at": "2022-09-04T14:39:13.454392Z",
"structure_string": "La4 Ta8 N4 O20\n1.0\n5.527844 0.000000 0.000000\n0.005100 7.741412 0.000000\n0.079838 0.006335 11.316943\nLa Ta N O\n4 8 4 20\ndirect\n0.446079 0.252215 0.965140 La\n0.950755 0.747598 0.536569 La\n0.043649 0.252329 0.454582 La\n0.551114 0.746241 0.041375 La\n0.962519 0.004101 0.858901 Ta\n0.959819 0.497460 0.859369 Ta\n0.456502 0.003601 0.643225 Ta\n0.458283 0.495494 0.642080 Ta\n0.536195 0.007285 0.356271 Ta\n0.536141 0.504627 0.349843 Ta\n0.049899 0.503468 0.146769 Ta\n0.037012 0.993482 0.142978 Ta\n0.047132 0.249138 0.852281 N\n0.453822 0.248568 0.359563 N\n0.373552 0.555892 0.207625 N\n0.949247 0.750927 0.144486 N\n0.228911 0.964390 0.975973 O\n0.229204 0.535858 0.973325 O\n0.849278 0.750230 0.874671 O\n0.626537 0.447381 0.786397 O\n0.628128 0.051699 0.786174 O\n0.133333 0.941806 0.710795 O\n0.133583 0.557932 0.710741 O\n0.544534 0.750298 0.643497 O\n0.353027 0.249160 0.623687 O\n0.733939 0.465516 0.531393 O\n0.727821 0.033066 0.526248 O\n0.270409 0.962784 0.479020 O\n0.272374 0.536028 0.479206 O\n0.654427 0.749077 0.383677 O\n0.873403 0.443006 0.291789 O\n0.871683 0.055536 0.290435 O\n0.369929 0.944822 0.211307 O\n0.145901 0.248926 0.119915 O\n0.771717 0.464132 0.018558 O\n0.770142 0.035933 0.022133 O\n",
"nsites": 36,
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"elements": [
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],
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"density": 8.157903430601777,
"density_atomic": 0.07433569608155997,
"volume": 484.2895391804949,
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"formula_full": "La4 Ta8 N4 O20",
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"energy": -361.98069886,
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"spacegroup": 1
},
{
"id": "mp-753883",
"created_at": "2022-09-04T14:39:17.381882Z",
"structure_string": "La4 Bi2 O9\n1.0\n5.848957 0.000000 0.000000\n-0.133020 5.853147 0.000000\n-0.567423 -2.857353 8.764783\nLa Bi O\n4 2 9\ndirect\n0.479866 0.510131 0.001440 La\n0.015531 0.652399 0.294945 La\n0.505320 0.826014 0.638182 La\n0.457530 0.149111 0.283016 La\n0.927874 0.996487 0.017087 Bi\n0.075889 0.243197 0.607407 Bi\n0.740078 0.852264 0.167705 O\n0.233379 0.338126 0.147000 O\n0.802980 0.932638 0.519565 O\n0.728569 0.334462 0.152469 O\n0.273829 0.482851 0.491227 O\n0.218854 0.815826 0.112329 O\n0.267892 0.978778 0.453805 O\n0.682719 0.710896 0.837554 O\n0.318687 0.184156 0.780936 O\n",
"nsites": 15,
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"Bi",
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],
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"density": 6.184685690029986,
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"volume": 300.0606379037459,
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"formula_full": "La4 Bi2 O9",
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{
"id": "mp-1233179",
"created_at": "2022-09-04T14:39:13.524046Z",
"structure_string": "Ho2 Mg1 Ag2 W4 O16\n1.0\n0.144300 -0.013070 -7.352264\n-3.935605 -5.881473 3.061001\n-3.922355 5.903920 3.144626\nHo Mg Ag W O\n2 1 2 4 16\ndirect\n0.016103 0.719507 0.272321 Ho\n0.007002 0.260239 0.744361 Ho\n0.490298 0.161283 0.422136 Mg\n0.548946 0.758358 0.656061 Ag\n0.486084 0.432461 0.225032 Ag\n0.001431 0.236348 0.251512 W\n0.005743 0.742359 0.767354 W\n0.512650 0.848113 0.145396 W\n0.494859 0.137973 0.859038 W\n0.805138 0.371166 0.132356 O\n0.206080 0.614203 0.880945 O\n0.207654 0.855595 0.633475 O\n0.801041 0.130902 0.383157 O\n0.691294 0.724794 0.198349 O\n0.354685 0.288729 0.824087 O\n0.367733 0.845114 0.303540 O\n0.657605 0.181085 0.707740 O\n0.915647 0.707265 0.951418 O\n0.101205 0.289428 0.068421 O\n0.152199 0.088344 0.332559 O\n0.908208 0.923877 0.698116 O\n0.673496 0.985948 0.996362 O\n0.344479 0.006793 0.022114 O\n0.771067 0.487705 0.541251 O\n0.201573 0.479199 0.473970 O\n",
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"density": 7.735101701659932,
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"formula_full": "Ho2 Mg1 Ag2 W4 O16",
"formula_reduced": "Ho2MgAg2(WO4)4",
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"energy": -206.48019709,
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{
"id": "mp-1233808",
"created_at": "2022-09-04T14:39:13.558073Z",
"structure_string": "Mg1 Mn4 Cu2 P6 O24\n1.0\n9.961936 -0.283376 -0.192293\n4.751451 6.904797 -0.340967\n4.798373 1.977165 6.644712\nMg Mn Cu P O\n1 4 2 6 24\ndirect\n0.253351 0.215642 0.278013 Mg\n0.113397 0.155727 0.110939 Mn\n0.381315 0.387760 0.349419 Mn\n0.675688 0.647021 0.629797 Mn\n0.822353 0.873780 0.851166 Mn\n0.981711 0.989617 0.002221 Cu\n0.517717 0.498011 0.510160 Cu\n0.021862 0.760577 0.425904 P\n0.474846 0.074283 0.741286 P\n0.748524 0.468466 0.033223 P\n0.251608 0.536095 0.963752 P\n0.549309 0.928349 0.268253 P\n0.955885 0.230943 0.568909 P\n0.096939 0.276791 0.540975 O\n0.307977 0.469638 0.135587 O\n0.056235 0.919436 0.216556 O\n0.470815 0.115665 0.336744 O\n0.927164 0.862973 0.588178 O\n0.202585 0.614966 0.439567 O\n0.294766 0.057731 0.889010 O\n0.437473 0.285359 0.585023 O\n0.198836 0.361334 0.025401 O\n0.599352 0.464815 0.243656 O\n0.092837 0.728649 0.964757 O\n0.410007 0.950687 0.224154 O\n0.581758 0.065653 0.822945 O\n0.899388 0.259219 0.031137 O\n0.408130 0.542078 0.768171 O\n0.830977 0.607263 0.978523 O\n0.582532 0.730919 0.432471 O\n0.726085 0.925103 0.097796 O\n0.776121 0.396582 0.582663 O\n0.030726 0.165389 0.381222 O\n0.568460 0.912158 0.638591 O\n0.929041 0.060955 0.762795 O\n0.665299 0.526549 0.895306 O\n0.916072 0.676006 0.435729 O\n",
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"elements": [
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"volume_molar": 7.775856807765546,
"formula_full": "Mg1 Mn4 Cu2 P6 O24",
"formula_reduced": "MgMn4Cu2(PO4)6",
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"energy": -282.33955693,
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{
"id": "mp-1076768",
"created_at": "2022-09-04T14:39:13.612513Z",
"structure_string": "K20 Na12 Nb32 O80\n1.0\n-0.022624 0.007411 11.556888\n11.657767 -0.022012 -0.022480\n-5.847624 15.733900 -5.758335\nK Na Nb O\n20 12 32 80\ndirect\n0.304428 0.061363 0.118146 K\n0.305815 0.562745 0.110426 K\n0.799383 0.060731 0.106100 K\n0.811118 0.562075 0.119553 K\n0.813655 0.570199 0.621510 K\n0.203637 0.933707 0.389738 K\n0.193385 0.930211 0.879002 K\n0.695474 0.442599 0.386848 K\n0.686363 0.427496 0.882222 K\n0.693777 0.933836 0.381560 K\n0.689755 0.918796 0.874710 K\n0.046800 0.293080 0.109198 K\n0.063415 0.795788 0.114098 K\n0.555444 0.307353 0.116806 K\n0.561519 0.803897 0.120236 K\n0.440023 0.194603 0.383165 K\n0.453084 0.708567 0.395123 K\n0.446936 0.704364 0.889796 K\n0.948239 0.694469 0.383101 K\n0.939328 0.694634 0.878312 K\n0.297528 0.078152 0.604253 Na\n0.303352 0.570735 0.603329 Na\n0.802823 0.067026 0.598516 Na\n0.202727 0.440513 0.405530 Na\n0.197900 0.427435 0.895670 Na\n0.048433 0.278746 0.604892 Na\n0.059532 0.792751 0.608257 Na\n0.551940 0.287519 0.602275 Na\n0.556996 0.790356 0.610116 Na\n0.442657 0.213483 0.896637 Na\n0.957031 0.219285 0.405774 Na\n0.947233 0.214738 0.897650 Na\n0.998580 0.995600 0.996406 Nb\n0.005251 0.000562 0.501367 Nb\n0.999906 0.497160 0.998387 Nb\n0.008391 0.502878 0.504396 Nb\n0.501391 0.997875 0.998369 Nb\n0.508544 0.004179 0.507369 Nb\n0.498715 0.499083 0.997814 Nb\n0.506966 0.502466 0.503789 Nb\n0.248811 0.247238 0.998775 Nb\n0.255704 0.253666 0.502978 Nb\n0.250788 0.748139 0.997757 Nb\n0.258698 0.752667 0.504742 Nb\n0.746413 0.244791 0.995228 Nb\n0.756525 0.250159 0.501061 Nb\n0.752207 0.746371 0.999869 Nb\n0.758732 0.752808 0.504588 Nb\n0.098040 0.086753 0.252399 Nb\n0.084599 0.086822 0.746199 Nb\n0.147315 0.578306 0.253642 Nb\n0.137853 0.566039 0.747885 Nb\n0.626471 0.106976 0.250257 Nb\n0.582125 0.082114 0.745535 Nb\n0.605038 0.605915 0.251603 Nb\n0.590843 0.569583 0.744838 Nb\n0.343461 0.414858 0.253929 Nb\n0.340783 0.423746 0.746161 Nb\n0.372043 0.890722 0.251893 Nb\n0.371084 0.928319 0.744714 Nb\n0.869135 0.398410 0.251416 Nb\n0.863228 0.391213 0.746455 Nb\n0.897694 0.931030 0.253559 Nb\n0.875072 0.935644 0.746901 Nb\n0.125693 0.125920 0.499928 O\n0.119775 0.119782 0.994980 O\n0.132300 0.623896 0.500288 O\n0.121587 0.613684 0.987517 O\n0.630186 0.127260 0.502157 O\n0.616185 0.120314 0.989034 O\n0.632665 0.631154 0.506690 O\n0.627231 0.622974 0.000855 O\n0.122915 0.367545 0.996053 O\n0.134500 0.380526 0.508919 O\n0.124007 0.871001 0.997342 O\n0.139073 0.880684 0.514191 O\n0.620073 0.370025 0.996857 O\n0.634016 0.379821 0.511692 O\n0.625857 0.875532 0.001142 O\n0.640881 0.887674 0.519357 O\n0.377693 0.127740 0.502259 O\n0.369503 0.124203 0.992118 O\n0.380159 0.622626 0.501868 O\n0.371622 0.620248 0.992804 O\n0.876507 0.121208 0.490720 O\n0.868416 0.117553 0.987740 O\n0.884322 0.626538 0.502259 O\n0.877418 0.618007 0.996853 O\n0.370316 0.371286 0.994946 O\n0.380514 0.379073 0.508020 O\n0.375312 0.876721 0.000071 O\n0.389174 0.883247 0.516538 O\n0.873491 0.370124 0.999338 O\n0.889894 0.378999 0.513335 O\n0.873103 0.869258 0.994678 O\n0.884852 0.879635 0.507215 O\n0.055593 0.063263 0.131334 O\n0.059511 0.089766 0.633939 O\n0.079162 0.562337 0.132410 O\n0.091639 0.592286 0.642341 O\n0.563170 0.073955 0.126325 O\n0.566243 0.105402 0.641433 O\n0.557246 0.562292 0.127255 O\n0.570770 0.583824 0.637108 O\n0.442031 0.430701 0.371212 O\n0.429904 0.431400 0.859931 O\n0.443249 0.932321 0.378232 O\n0.434657 0.917425 0.854464 O\n0.940507 0.420591 0.373323 O\n0.929798 0.405343 0.863818 O\n0.949534 0.917020 0.365195 O\n0.936516 0.916490 0.854639 O\n0.309641 0.315432 0.133139 O\n0.316773 0.303706 0.635582 O\n0.312345 0.807989 0.126099 O\n0.338643 0.794764 0.641648 O\n0.811552 0.302493 0.127860 O\n0.834682 0.281554 0.633789 O\n0.833422 0.814988 0.137098 O\n0.850986 0.805960 0.644809 O\n0.185318 0.193794 0.371270 O\n0.175304 0.187692 0.860408 O\n0.199030 0.690642 0.372643 O\n0.194379 0.690142 0.856738 O\n0.688694 0.202117 0.373215 O\n0.673024 0.184427 0.859043 O\n0.686075 0.692696 0.377489 O\n0.676006 0.670910 0.862489 O\n0.483533 0.017914 0.250545 O\n0.409331 0.098133 0.746842 O\n0.453126 0.547596 0.253088 O\n0.417974 0.571942 0.736440 O\n0.933822 0.106627 0.264920 O\n0.911494 0.105110 0.747433 O\n0.983210 0.518018 0.250522 O\n0.969057 0.519832 0.748394 O\n0.182131 0.412337 0.265720 O\n0.167814 0.394713 0.747861 O\n0.227842 0.975705 0.253110 O\n0.196525 0.955473 0.734941 O\n0.741422 0.501377 0.253407 O\n0.698647 0.436197 0.735079 O\n0.732441 0.982477 0.250268 O\n0.698852 0.955225 0.734562 O\n",
"nsites": 144,
"nelements": 4,
"elements": [
"K",
"Na",
"Nb",
"O"
],
"chemical_system": "K-Na-Nb-O",
"density": 4.162183789410718,
"density_atomic": 0.0679633458674727,
"volume": 2118.7891526234953,
"volume_molar": 8.860865637402647,
"formula_full": "K20 Na12 Nb32 O80",
"formula_reduced": "K5Na3Nb8O20",
"formula_anonymous": "A3B5C8D20",
"energy": -1122.42666825,
"energy_per_atom": -7.794629640625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1067.46666825,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.8242538,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:40.927000Z",
"spacegroup": 1
}
]
}