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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=spacegroup&page=101",
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"results": [
{
"id": "jvasp-97666",
"created_at": "2022-09-04T14:35:59.541434Z",
"updated_at": "2022-09-04T14:35:59.541465Z",
"structure_string": "Mg2 P4 H24 O22\n1.0\n7.331107 -0.010252 -2.341945\n3.486888 8.467901 -0.703564\n-0.140597 0.161529 7.416320\nMg P H O\n2 4 24 22\ndirect\n0.781035 0.707396 0.645163 Mg\n0.218965 0.292604 0.354837 Mg\n0.903408 0.317009 0.601533 P\n0.096592 0.682992 0.398467 P\n0.575257 0.072224 0.755889 P\n0.424744 0.927776 0.244111 P\n0.200210 0.557095 0.822795 H\n0.799790 0.442905 0.177205 H\n0.521376 0.389091 0.863110 H\n0.478624 0.610909 0.136890 H\n0.896468 0.059723 0.265112 H\n0.103533 0.940277 0.734888 H\n0.919003 0.399067 0.030109 H\n0.027814 0.953256 0.784398 H\n0.972186 0.046744 0.215602 H\n0.386563 0.483784 0.662257 H\n0.080997 0.600933 0.969891 H\n0.613437 0.516216 0.337743 H\n0.568792 0.774375 0.883804 H\n0.431209 0.225625 0.116196 H\n0.072827 0.193106 0.894776 H\n0.671200 0.208701 0.526689 H\n0.328800 0.791299 0.473311 H\n0.265096 0.120445 0.686828 H\n-0.072827 0.806894 0.105225 H\n0.745966 0.128778 0.037982 H\n0.254034 0.871222 -0.037982 H\n0.574229 0.606448 0.818904 H\n0.425771 0.393552 0.181096 H\n0.734904 0.879555 0.313172 H\n0.935287 0.405065 0.166742 O\n0.500054 0.823856 0.427287 O\n0.064713 0.594935 0.833258 O\n0.353041 0.320944 0.164482 O\n0.646960 0.679056 0.835518 O\n0.369973 0.817156 0.073827 O\n0.630028 0.182844 0.926173 O\n0.605766 0.958407 0.220324 O\n0.394234 0.041593 0.779676 O\n0.499946 0.176144 0.572713 O\n0.952823 0.283519 0.826810 O\n0.753407 0.918983 0.786533 O\n0.212173 0.788072 0.506815 O\n0.787827 0.211928 0.493185 O\n0.047177 0.716481 0.173190 O\n0.903617 0.740614 0.445452 O\n0.096384 0.259386 0.554548 O\n0.226913 0.509387 0.441679 O\n0.773088 0.490613 0.558321 O\n0.441455 0.496472 0.801370 O\n0.246593 0.081017 0.213467 O\n0.558546 0.503529 0.198630 O\n",
"nsites": 52,
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"elements": [
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],
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"density_atomic": 0.1136889485229435,
"volume": 457.38834491468543,
"volume_molar": 5.29703268280705,
"formula_full": "Mg2 P4 H24 O22",
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"formula_anonymous": "AB2C11D12",
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"spacegroup": 2
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{
"id": "jvasp-88071",
"created_at": "2022-09-04T14:35:59.569841Z",
"updated_at": "2022-09-04T14:35:59.569873Z",
"structure_string": "Pr2 P2 H10 C2 O14\n1.0\n6.699871 0.063684 -0.503124\n-0.272937 6.667030 -2.412910\n0.118396 0.048689 7.501889\nPr P H C O\n2 2 10 2 14\ndirect\n0.133050 0.228159 0.941345 Pr\n0.866950 0.771841 0.058655 Pr\n0.670042 0.251533 0.018074 P\n0.329958 0.748466 0.981926 P\n0.561877 0.164676 0.438712 H\n0.438123 0.835323 0.561289 H\n0.712962 0.665670 0.619891 H\n0.287038 0.334329 0.380109 H\n0.833978 0.479843 0.655761 H\n0.606324 0.280214 0.200249 H\n0.166022 0.520157 0.344240 H\n0.469644 0.242174 0.637780 H\n0.393675 0.719785 0.799751 H\n0.530356 0.757825 0.362220 H\n0.934533 0.089078 0.498265 C\n0.065467 0.910921 0.501735 C\n0.817253 0.425334 0.034711 O\n0.823859 0.066994 0.350458 O\n0.176141 0.933005 0.649543 O\n0.443358 0.227582 0.502742 O\n0.799258 0.622419 0.712129 O\n0.200742 0.377581 0.287872 O\n0.203407 0.939468 0.043159 O\n0.483828 0.239554 0.887653 O\n0.796593 0.060531 0.956842 O\n0.947289 0.243523 0.644964 O\n0.516172 0.760446 0.112348 O\n0.182747 0.574666 0.965289 O\n0.556642 0.772417 0.497258 O\n0.052711 0.756476 0.355036 O\n",
"nsites": 30,
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"elements": [
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"P",
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],
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"density": 2.9708861524807766,
"density_atomic": 0.08917972571269155,
"volume": 336.39933023174314,
"volume_molar": 6.752813727417601,
"formula_full": "Pr2 P2 H10 C2 O14",
"formula_reduced": "PrPH5CO7",
"formula_anonymous": "ABCD5E7",
"energy_above_hull": 3.2343346566666678,
"spacegroup": 2
},
{
"id": "jvasp-86518",
"created_at": "2022-09-04T14:36:00.005456Z",
"updated_at": "2022-09-04T14:36:00.005493Z",
"structure_string": "K2 C2 Br2 N4 O8\n1.0\n5.995790 0.083509 -1.465510\n-1.492728 6.129076 -3.152932\n0.007715 0.003278 7.374639\nK C Br N O\n2 2 2 4 8\ndirect\n0.328022 0.278892 0.127350 K\n0.671977 0.721109 0.872650 K\n0.952559 0.243085 0.537849 C\n0.047441 0.756917 0.462152 C\n0.796815 0.203473 0.711292 Br\n0.203184 0.796528 0.288709 Br\n0.822474 0.638335 0.369422 N\n0.177525 0.361666 0.630578 N\n0.834137 0.158926 0.323753 N\n0.165862 0.841075 0.676248 N\n0.272900 0.421441 0.825464 O\n0.714947 0.587805 0.473432 O\n0.727099 0.578560 0.174537 O\n0.371862 0.945516 0.741801 O\n0.628137 0.054485 0.258199 O\n0.285052 0.412196 0.526569 O\n0.924616 0.179103 0.194245 O\n0.075383 0.820898 0.805756 O\n",
"nsites": 18,
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"elements": [
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"N",
"O"
],
"chemical_system": "Br-C-K-N-O",
"density": 2.7224506667368464,
"density_atomic": 0.06616096482719261,
"volume": 272.06374706013776,
"volume_molar": 9.102256558273254,
"formula_full": "K2 C2 Br2 N4 O8",
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"formula_anonymous": "ABCD2E4",
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{
"id": "jvasp-86537",
"created_at": "2022-09-04T14:36:00.805449Z",
"updated_at": "2022-09-04T14:36:00.805461Z",
"structure_string": "V2 S4 N6 Cl4\n1.0\n5.600664 0.021725 -0.902687\n-1.016558 6.781149 -0.656523\n0.069530 0.003646 7.713795\nV S N Cl\n2 4 6 4\ndirect\n0.763902 0.848347 0.021008 V\n0.236097 0.151653 0.978991 V\n0.742654 0.637187 0.357552 S\n0.812776 0.119170 0.664870 S\n0.257345 0.362813 0.642448 S\n0.187223 0.880830 0.335129 S\n0.986580 0.257089 0.571590 N\n0.068370 0.925623 0.145781 N\n0.013419 0.742911 0.428409 N\n0.658370 0.696709 0.167832 N\n0.341629 0.303291 0.832168 N\n0.931629 0.074377 0.854218 N\n0.377726 0.868794 0.827642 Cl\n0.183612 0.383790 0.190604 Cl\n0.622273 0.131206 0.172357 Cl\n0.816387 0.616210 0.809395 Cl\n",
"nsites": 16,
"nelements": 4,
"elements": [
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"Cl"
],
"chemical_system": "Cl-N-S-V",
"density": 2.57924485367429,
"density_atomic": 0.05450083884637349,
"volume": 293.57346306358085,
"volume_molar": 11.049629487309653,
"formula_full": "V2 S4 N6 Cl4",
"formula_reduced": "VS2N3Cl2",
"formula_anonymous": "AB2C2D3",
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"spacegroup": 2
},
{
"id": "jvasp-86715",
"created_at": "2022-09-04T14:36:00.996135Z",
"updated_at": "2022-09-04T14:36:00.996165Z",
"structure_string": "Ca8 Ti2 N8\n1.0\n5.883381 0.014027 1.098294\n1.930148 5.374599 1.898912\n0.011903 -0.004267 8.976162\nCa Ti N\n8 2 8\ndirect\n0.234406 0.955108 0.607566 Ca\n0.772974 0.579399 0.176812 Ca\n0.738370 0.229746 0.980501 Ca\n0.271055 0.519762 0.426933 Ca\n0.765594 0.044892 0.392433 Ca\n0.227025 0.420601 0.823187 Ca\n0.728944 0.480238 0.573066 Ca\n0.261630 0.770255 0.019498 Ca\n0.284874 0.151705 0.243562 Ti\n0.715126 0.848295 0.756437 Ti\n0.970644 0.708419 0.609436 N\n0.510993 0.177260 0.635742 N\n0.029356 0.291581 0.390563 N\n0.516838 0.634168 0.804184 N\n0.116425 0.167870 0.072235 N\n0.489007 0.822740 0.364257 N\n0.483162 0.365832 0.195815 N\n0.883575 0.832130 0.927764 N\n",
"nsites": 18,
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"elements": [
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],
"chemical_system": "Ca-N-Ti",
"density": 3.094408831211785,
"density_atomic": 0.06347880705603687,
"volume": 283.55920400505056,
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"formula_full": "Ca8 Ti2 N8",
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"spacegroup": 2
},
{
"id": "jvasp-42329",
"created_at": "2022-09-04T14:36:01.399277Z",
"updated_at": "2022-09-04T14:36:01.399302Z",
"structure_string": "Li5 V2 Ni3 O10\n1.0\n5.026856 0.075059 0.064183\n1.010888 5.102818 0.136337\n2.543646 2.340960 6.942693\nLi V Ni O\n5 2 3 10\ndirect\n0.210355 0.492861 0.610550 Li\n0.406493 0.493140 0.201176 Li\n0.500001 0.000000 0.500000 Li\n0.593509 0.506861 0.798824 Li\n0.789647 0.507140 0.389450 Li\n0.102809 0.975721 0.314393 V\n0.897193 0.024280 0.685607 V\n0.696482 0.008405 0.101792 Ni\n0.303520 0.991596 0.898208 Ni\n0.000000 0.500000 0.000000 Ni\n0.675829 0.756194 0.947299 O\n0.054696 0.783531 0.166521 O\n0.324173 0.243806 0.052701 O\n0.140932 0.228792 0.450846 O\n0.219645 0.747869 0.763299 O\n0.432425 0.773317 0.349867 O\n0.567577 0.226684 0.650132 O\n0.780357 0.252131 0.236700 O\n0.859070 0.771209 0.549154 O\n0.945306 0.216470 0.833478 O\n",
"nsites": 20,
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"elements": [
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"V",
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"O"
],
"chemical_system": "Li-Ni-O-V",
"density": 4.477278010657491,
"density_atomic": 0.1140890826943638,
"volume": 175.30161105404378,
"volume_molar": 5.278454886111119,
"formula_full": "Li5 V2 Ni3 O10",
"formula_reduced": "Li5V2Ni3O10",
"formula_anonymous": "A2B3C5D10",
"energy_above_hull": 2.3945550300000003,
"spacegroup": 2
},
{
"id": "jvasp-98570",
"created_at": "2022-09-04T14:36:01.468602Z",
"updated_at": "2022-09-04T14:36:01.468633Z",
"structure_string": "Sb4 Xe4 O4 F36\n1.0\n8.539581 -0.040166 -0.369741\n-2.599516 8.780000 -3.334725\n0.016140 -0.068660 10.055199\nSb Xe O F\n4 4 4 36\ndirect\n0.925504 0.747057 0.251630 Sb\n0.433577 0.775896 0.585864 Sb\n0.074496 0.252943 0.748370 Sb\n0.566422 0.224103 0.414136 Sb\n0.560832 0.228757 0.878765 Xe\n0.925846 0.795198 0.723374 Xe\n0.439167 0.771243 0.121234 Xe\n0.074153 0.204802 0.276625 Xe\n0.102766 0.884668 0.864669 O\n0.266480 0.786834 0.019821 O\n0.733519 0.213165 0.980178 O\n0.897233 0.115332 0.135330 O\n0.746781 0.139784 0.401565 F\n0.685879 0.427771 0.865870 F\n0.869166 0.531052 0.166841 F\n0.778942 0.650169 0.795025 F\n0.064407 0.228475 0.927369 F\n0.412841 0.748371 0.762665 F\n0.253218 0.860216 0.598435 F\n0.587158 0.251629 0.237335 F\n0.695050 0.741635 0.235200 F\n0.479098 0.368515 0.039770 F\n0.221057 0.349831 0.204975 F\n0.153740 0.770733 0.285201 F\n0.363252 0.281209 0.421688 F\n0.314120 0.572228 0.134130 F\n0.023442 0.028557 0.656121 F\n0.846259 0.229266 0.714798 F\n0.691247 0.427760 0.521946 F\n0.976558 0.971442 0.343879 F\n0.522735 0.185728 0.585654 F\n0.426385 0.013292 0.306793 F\n0.520901 0.631485 0.960230 F\n0.304949 0.258364 0.764800 F\n0.130833 0.468948 0.833159 F\n0.935592 0.771524 0.072630 F\n0.009887 0.615236 0.629051 F\n0.096510 0.260765 0.561441 F\n0.477264 0.814271 0.414345 F\n0.806992 0.939145 0.839807 F\n0.193007 0.060854 0.160192 F\n0.606089 0.932995 0.078882 F\n0.636748 0.718790 0.578312 F\n0.308752 0.572240 0.478053 F\n-0.009887 0.384764 0.370949 F\n0.393910 0.067005 0.921118 F\n0.903490 0.739235 0.438558 F\n0.573614 0.986708 0.693207 F\n",
"nsites": 48,
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"elements": [
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"F"
],
"chemical_system": "F-O-Sb-Xe",
"density": 3.89241140630171,
"density_atomic": 0.0639235189465853,
"volume": 750.8973346744092,
"volume_molar": 9.420853011912753,
"formula_full": "Sb4 Xe4 O4 F36",
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"formula_anonymous": "ABCD9",
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"spacegroup": 2
},
{
"id": "jvasp-98367",
"created_at": "2022-09-04T14:36:01.523487Z",
"updated_at": "2022-09-04T14:36:01.523507Z",
"structure_string": "Ba6 Te8 O22\n1.0\n7.473914 0.003606 -2.800951\n-2.810478 8.946316 -1.266736\n-0.017155 0.016919 10.033335\nBa Te O\n6 8 22\ndirect\n0.281900 0.544220 0.628075 Ba\n0.307115 0.011560 0.111028 Ba\n0.692884 0.988441 0.888971 Ba\n0.718099 0.455781 0.371924 Ba\n0.855213 0.596663 0.821364 Ba\n0.144786 0.403338 0.178635 Ba\n0.913616 0.112606 0.299761 Te\n0.086383 0.887395 0.700238 Te\n0.524437 0.688518 0.059689 Te\n0.052262 0.760081 0.282359 Te\n0.947737 0.239920 0.717640 Te\n0.568878 0.813082 0.461476 Te\n0.431121 0.186919 0.538523 Te\n0.475562 0.311483 0.940310 Te\n0.664182 0.124022 0.632031 O\n0.071627 0.684264 0.106463 O\n0.928372 0.315737 0.893536 O\n0.335817 0.875979 0.367968 O\n0.857916 0.729453 0.579899 O\n0.528227 0.788732 0.630415 O\n0.142083 0.270548 0.420100 O\n0.211057 0.765272 0.807548 O\n0.788942 0.234729 0.192451 O\n0.998229 0.954559 0.842675 O\n0.001770 0.045442 0.157324 O\n0.594872 0.687102 0.898739 O\n0.534446 0.387304 0.648480 O\n0.405126 0.312899 0.101260 O\n0.402954 0.101915 0.868071 O\n0.737122 0.638642 0.182726 O\n0.262877 0.361359 0.817273 O\n0.069033 0.596056 0.369401 O\n0.930966 0.403945 0.630598 O\n0.471772 0.211269 0.369584 O\n0.597045 0.898086 0.131928 O\n0.465553 0.612697 0.351519 O\n",
"nsites": 36,
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"elements": [
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],
"chemical_system": "Ba-O-Te",
"density": 5.437688743257799,
"density_atomic": 0.05366453247463565,
"volume": 670.834130848252,
"volume_molar": 11.22182656272342,
"formula_full": "Ba6 Te8 O22",
"formula_reduced": "Ba3Te4O11",
"formula_anonymous": "A3B4C11",
"energy_above_hull": 1.9462520820370373,
"spacegroup": 2
},
{
"id": "jvasp-42272",
"created_at": "2022-09-04T14:36:01.705024Z",
"updated_at": "2022-09-04T14:36:01.705051Z",
"structure_string": "Mn6 O2 F10\n1.0\n4.791929 -0.011157 0.014687\n0.277413 5.718208 -0.017990\n0.164767 0.387794 8.087940\nMn O F\n6 2 10\ndirect\n0.462717 0.347912 0.192502 Mn\n0.537284 0.652087 0.807499 Mn\n0.500001 -0.000001 0.500000 Mn\n0.997614 0.168085 0.837341 Mn\n-0.000000 0.500000 0.500000 Mn\n0.002386 0.831914 0.162659 Mn\n0.707364 0.715990 0.585546 O\n0.292636 0.284009 0.414454 O\n0.188229 0.473042 0.735955 F\n0.316241 0.644927 0.047687 F\n0.305731 0.969734 0.728212 F\n0.683759 0.355072 0.952314 F\n0.789038 0.217651 0.608820 F\n0.811771 0.526957 0.264046 F\n0.806809 0.860465 0.930680 F\n0.210962 0.782348 0.391180 F\n0.694270 0.030265 0.271789 F\n0.193192 0.139534 0.069321 F\n",
"nsites": 18,
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"elements": [
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],
"chemical_system": "F-Mn-O",
"density": 4.132218232845637,
"density_atomic": 0.0812032962746681,
"volume": 221.66587842832703,
"volume_molar": 7.41612845324685,
"formula_full": "Mn6 O2 F10",
"formula_reduced": "Mn3OF5",
"formula_anonymous": "AB3C5",
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"spacegroup": 2
},
{
"id": "jvasp-98108",
"created_at": "2022-09-04T14:36:02.150917Z",
"updated_at": "2022-09-04T14:36:02.150944Z",
"structure_string": "Rb2 Pr2 P6 H2 O20\n1.0\n6.835510 -0.006821 1.928812\n0.386454 7.367973 2.160738\n0.004015 0.011222 8.709748\nRb Pr P H O\n2 2 6 2 20\ndirect\n0.296887 0.303216 0.971959 Rb\n0.703113 0.696783 0.028041 Rb\n0.728551 0.633691 0.508658 Pr\n0.271449 0.366308 0.491342 Pr\n0.821856 0.298678 0.346198 P\n0.831685 0.227540 0.818437 P\n0.168315 0.772460 0.181564 P\n0.356882 0.964248 0.353510 P\n0.178144 0.701321 0.653802 P\n0.643119 0.035751 0.646491 P\n0.811589 0.186250 0.083338 H\n0.188411 0.813749 0.916662 H\n0.632557 0.421850 0.372298 O\n0.041743 0.640526 0.570818 O\n0.701803 0.394163 0.766786 O\n0.298197 0.605836 0.233214 O\n0.905994 0.288237 0.170918 O\n0.950290 0.749662 0.236271 O\n0.374739 0.166106 0.311513 O\n0.788279 0.064172 0.748582 O\n0.539002 0.843749 0.328904 O\n0.367443 0.578149 0.627703 O\n0.094006 0.711763 0.829082 O\n0.211721 0.935827 0.251418 O\n0.766766 0.091140 0.455624 O\n0.625261 0.833894 0.688488 O\n0.049710 0.250338 0.763729 O\n0.460998 0.156250 0.671096 O\n0.958257 0.359474 0.429182 O\n0.758324 0.133674 0.008200 O\n0.233234 0.908860 0.544376 O\n0.241675 0.866326 -0.008200 O\n",
"nsites": 32,
"nelements": 5,
"elements": [
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"Pr",
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"O"
],
"chemical_system": "H-O-P-Pr-Rb",
"density": 3.6379407480103776,
"density_atomic": 0.07298189185473979,
"volume": 438.4649285838124,
"volume_molar": 8.251554744547082,
"formula_full": "Rb2 Pr2 P6 H2 O20",
"formula_reduced": "RbPrP3HO10",
"formula_anonymous": "ABCD3E10",
"energy_above_hull": 2.678368834375,
"spacegroup": 2
},
{
"id": "jvasp-95211",
"created_at": "2022-09-04T14:36:03.374681Z",
"updated_at": "2022-09-04T14:36:03.374700Z",
"structure_string": "Na2 Si6 B2 O16\n1.0\n3.067611 6.200755 -2.105627\n-3.942834 6.223025 1.386608\n0.016000 0.001510 6.864900\nNa Si B O\n2 6 2 16\ndirect\n0.737232 0.246647 0.868413 Na\n0.262770 0.753353 0.131587 Na\n0.184277 0.195467 0.791176 Si\n0.815725 0.804533 0.208824 Si\n0.199973 0.599763 0.680339 Si\n0.800028 0.400237 0.319661 Si\n0.457038 0.816218 0.646130 Si\n0.542963 0.183782 0.353871 Si\n0.170847 0.147577 0.221709 B\n0.829154 0.852423 0.778291 B\n0.312308 0.925711 0.382550 O\n0.687694 0.074289 0.617451 O\n0.706877 0.652438 0.203112 O\n0.293124 0.347562 0.796888 O\n0.274462 0.271804 0.272152 O\n0.725540 0.728197 0.727848 O\n0.648968 0.021152 0.233487 O\n0.434475 0.605665 0.724647 O\n0.940151 0.248176 0.212926 O\n0.059850 0.751824 0.787074 O\n0.565526 0.394335 0.275353 O\n0.936505 0.326214 0.582773 O\n0.142264 0.127900 0.004424 O\n0.857738 0.872100 0.995576 O\n0.351033 0.978848 0.766513 O\n0.063496 0.673786 0.417227 O\n",
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"elements": [
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"B",
"O"
],
"chemical_system": "B-Na-O-Si",
"density": 2.730784040729093,
"density_atomic": 0.08688681610027468,
"volume": 299.23987512666844,
"volume_molar": 6.931017880837,
"formula_full": "Na2 Si6 B2 O16",
"formula_reduced": "NaSi3BO8",
"formula_anonymous": "ABC3D8",
"energy_above_hull": 2.8528727217948715,
"spacegroup": 2
},
{
"id": "jvasp-47993",
"created_at": "2022-09-04T14:36:03.424892Z",
"updated_at": "2022-09-04T14:36:03.424919Z",
"structure_string": "Mn6 O2 F10\n1.0\n4.802487 0.009237 0.003903\n0.141242 5.816431 -0.022764\n0.231509 0.418448 7.998385\nMn O F\n6 2 10\ndirect\n0.500000 0.500000 0.000000 Mn\n0.523082 0.809212 0.664116 Mn\n0.476918 0.190789 0.335885 Mn\n0.977040 0.345773 0.678733 Mn\n0.022960 0.654228 0.321268 Mn\n0.000000 0.000000 0.000000 Mn\n0.686896 0.532566 0.783030 O\n0.313105 0.467434 0.216970 O\n0.197835 0.628213 0.562567 F\n0.298193 0.797293 0.900976 F\n0.295822 0.123411 0.578047 F\n0.704179 0.876590 0.421954 F\n0.802165 0.371788 0.437434 F\n0.796045 0.702450 0.099452 F\n0.800293 0.032892 0.765571 F\n0.199708 0.967109 0.234429 F\n0.701807 0.202708 0.099025 F\n0.203956 0.297550 0.900549 F\n",
"nsites": 18,
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"elements": [
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],
"chemical_system": "F-Mn-O",
"density": 4.099191803173969,
"density_atomic": 0.08055428530709485,
"volume": 223.45179938446606,
"volume_molar": 7.475878827602978,
"formula_full": "Mn6 O2 F10",
"formula_reduced": "Mn3OF5",
"formula_anonymous": "AB3C5",
"energy_above_hull": 1.6357507374042146,
"spacegroup": 2
}
]
}