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{
"id": "mp-1221913",
"created_at": "2022-09-04T14:47:06.138677Z",
"structure_string": "Na6 Mg4 Mn8 Be12 Si18 Sn6 O78\n1.0\n-0.001022 0.000000 -6.913751\n0.000000 13.433944 0.000000\n16.360366 -6.716972 -3.454467\nNa Mg Mn Be Si Sn O\n6 4 8 12 18 6 78\ndirect\n0.499195 0.500437 0.001393 Na\n0.833775 0.167309 0.333723 Na\n0.166903 0.833719 0.667099 Na\n0.499558 0.000252 0.999610 Na\n0.834138 0.665711 0.331940 Na\n0.166431 0.333287 0.666235 Na\n0.666667 0.712681 0.166667 Mg\n0.000309 0.380320 0.500083 Mg\n0.333024 0.046904 0.833250 Mg\n0.166667 0.453928 0.166667 Mg\n0.499994 0.121706 0.499949 Mn\n0.833339 0.788423 0.833384 Mn\n0.833845 0.545844 0.833678 Mn\n0.166667 0.214778 0.166667 Mn\n0.499488 0.878833 0.499655 Mn\n0.334023 0.286276 0.834068 Mn\n0.666667 0.952510 0.166667 Mn\n0.999310 0.618875 0.499265 Mn\n0.569653 0.204519 0.912795 Be\n0.904672 0.870656 0.245466 Be\n0.235673 0.538002 0.579335 Be\n0.514974 0.707743 0.913265 Be\n0.851423 0.376246 0.246107 Be\n0.181602 0.041078 0.579949 Be\n0.428661 0.791856 0.087867 Be\n0.763680 0.458392 0.420538 Be\n0.097661 0.125334 0.753999 Be\n0.481910 0.296805 0.087226 Be\n0.818359 0.961144 0.420068 Be\n0.151732 0.627797 0.753385 Be\n0.332972 0.501534 0.833795 Si\n0.666667 0.168336 0.166667 Si\n0.000361 0.834405 0.499538 Si\n0.833828 0.331332 0.833614 Si\n0.166667 0.998127 0.166667 Si\n0.499505 0.664384 0.499719 Si\n0.166667 0.666877 0.166667 Si\n0.500001 0.336080 0.500016 Si\n0.833332 0.002731 0.833317 Si\n0.666667 0.499903 0.166667 Si\n0.999946 0.167384 0.500028 Si\n0.333387 0.834023 0.833305 Si\n0.865104 0.750338 0.000787 Si\n0.198458 0.416997 0.333168 Si\n0.531485 0.083241 0.667337 Si\n0.134875 0.250495 0.000165 Si\n0.468229 0.916218 0.332546 Si\n0.801849 0.582572 0.665997 Si\n0.999215 0.500667 0.001700 Sn\n0.331562 0.167238 0.333828 Sn\n0.665356 0.833490 0.667112 Sn\n0.001771 0.000076 0.999505 Sn\n0.334118 0.665634 0.331633 Sn\n0.667978 0.333046 0.666222 Sn\n0.372096 0.718321 0.143397 O\n0.706262 0.385901 0.476926 O\n0.039602 0.052400 0.810071 O\n0.484848 0.425113 0.143400 O\n0.822036 0.090148 0.475137 O\n0.155276 0.756855 0.808527 O\n0.154350 0.552208 0.807939 O\n0.486754 0.218985 0.141302 O\n0.820535 0.885995 0.475075 O\n0.038184 0.255237 0.808192 O\n0.370678 0.921918 0.141498 O\n0.704544 0.588589 0.474637 O\n0.628789 0.280618 0.858696 O\n0.962655 0.947087 0.191835 O\n0.295150 0.613712 0.525142 O\n0.512798 0.577585 0.858258 O\n0.846579 0.244350 0.192031 O\n0.178984 0.910936 0.525395 O\n0.848485 0.448380 0.189933 O\n0.178058 0.114995 0.524807 O\n0.511297 0.781677 0.858196 O\n0.961237 0.741591 0.189936 O\n0.293731 0.408996 0.523263 O\n0.627071 0.075641 0.856407 O\n0.991169 0.851077 0.000218 O\n0.325827 0.518127 0.335052 O\n0.657603 0.184118 0.666844 O\n0.008573 0.149903 0.001227 O\n0.341462 0.816478 0.334681 O\n0.673560 0.483068 0.668229 O\n0.007506 0.349740 0.998281 O\n0.342164 0.017526 0.333115 O\n0.675731 0.683941 0.666490 O\n0.991871 0.648463 0.998652 O\n0.324760 0.315343 0.332106 O\n0.659774 0.981506 0.665105 O\n0.168214 0.545540 0.091667 O\n0.502536 0.214633 0.424311 O\n0.836042 0.881155 0.757658 O\n0.740093 0.546139 0.091631 O\n0.074560 0.213197 0.425192 O\n0.408111 0.879701 0.758389 O\n0.407777 0.380507 0.758307 O\n0.741102 0.047544 0.091306 O\n0.075581 0.714765 0.423897 O\n0.834614 0.375294 0.757589 O\n0.167727 0.042575 0.090969 O\n0.500481 0.708953 0.424177 O\n0.832852 0.451443 0.909156 O\n0.165607 0.118273 0.242365 O\n0.498719 0.784371 0.575744 O\n0.257752 0.457535 0.909436 O\n0.592232 0.122905 0.242028 O\n0.925556 0.788866 0.575026 O\n0.593241 0.621175 0.241703 O\n0.925222 0.287978 0.574944 O\n0.258773 0.954672 0.908141 O\n0.165120 0.620540 0.241667 O\n0.497291 0.290162 0.575675 O\n0.830797 0.956989 0.909022 O\n0.763976 0.710756 0.918068 O\n0.098665 0.379434 0.250921 O\n0.430930 0.043566 0.584469 O\n0.316798 0.206352 0.917070 O\n0.649993 0.872861 0.250008 O\n0.983132 0.538628 0.583906 O\n0.234669 0.295180 0.082413 O\n0.569357 0.959353 0.415265 O\n0.902403 0.625764 0.748864 O\n0.683341 0.789520 0.083326 O\n0.016535 0.455949 0.416263 O\n0.350201 0.121389 0.749427 O\n0.386424 0.748867 0.000399 O\n0.720878 0.415782 0.333398 O\n0.052590 0.082392 0.666968 O\n0.612455 0.249050 0.999935 O\n0.946909 0.915135 0.332934 O\n0.280744 0.582091 0.666366 O\n",
"nsites": 132,
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"elements": [
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"Mn",
"Be",
"Si",
"Sn",
"O"
],
"chemical_system": "Be-Mg-Mn-Na-O-Si-Sn",
"density": 3.5499017523894887,
"density_atomic": 0.08686605390593886,
"volume": 1519.5809417443263,
"volume_molar": 6.932674490452798,
"formula_full": "Na6 Mg4 Mn8 Be12 Si18 Sn6 O78",
"formula_reduced": "Na3Mg2Mn4Be6Si9(SnO13)3",
"formula_anonymous": "A2B3C3D4E6F9G39",
"energy": -985.49560977,
"energy_per_atom": -7.465875831590909,
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"energy_uncorrected": -918.56560977,
"band_gap": 0.0712000000000001,
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"is_magnetic": true,
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"updated_at": "2021-11-28T01:37:54.645000Z",
"spacegroup": 5
},
{
"id": "mp-1202345",
"created_at": "2022-09-04T14:48:07.921229Z",
"structure_string": "Na12 Li4 Y6 Zr6 P12 C4 O68\n1.0\n11.085585 0.000000 0.000000\n0.007430 11.089581 0.000000\n0.008407 0.014958 11.123642\nNa Li Y Zr P C O\n12 4 6 6 12 4 68\ndirect\n0.185471 0.506137 0.673207 Na\n0.185165 0.479852 0.001281 Na\n0.510492 0.481876 0.674776 Na\n0.186148 0.155002 0.325934 Na\n0.186984 0.830414 0.347769 Na\n0.859169 0.154505 0.998971 Na\n0.510401 0.830364 0.326581 Na\n0.835745 0.832263 0.998868 Na\n0.509297 0.502746 0.997810 Na\n0.837307 0.155094 0.673657 Na\n0.856329 0.833343 0.672778 Na\n0.511098 0.155009 0.346442 Na\n0.041004 0.686531 0.142337 Li\n0.040440 0.300280 0.528979 Li\n0.654247 0.686963 0.530739 Li\n0.652734 0.296853 0.140052 Li\n0.848958 0.175760 0.336558 Y\n0.531264 0.493133 0.336414 Y\n0.848798 0.493060 0.018722 Y\n0.166972 0.493178 0.336867 Y\n0.849453 0.810573 0.336901 Y\n0.849217 0.494001 0.654882 Y\n0.572214 0.993048 0.837250 Zr\n0.348780 0.993522 0.607044 Zr\n0.348391 0.769880 0.836455 Zr\n0.122643 0.994925 0.836206 Zr\n0.349611 0.217825 0.836734 Zr\n0.350170 0.994042 0.066159 Zr\n0.363579 0.301875 0.145581 P\n0.038119 0.687229 0.851162 P\n0.658226 0.301793 0.851356 P\n0.658075 0.977717 0.527090 P\n0.363508 0.684164 0.528516 P\n0.658162 0.008068 0.146165 P\n0.040155 0.302869 0.820819 P\n0.657741 0.684370 0.821055 P\n0.040522 0.978037 0.146784 P\n0.332697 0.302589 0.526935 P\n0.040123 0.008746 0.527067 P\n0.332340 0.683280 0.145324 P\n0.966286 0.610217 0.454454 C\n0.966791 0.375202 0.218376 C\n0.730530 0.611213 0.217930 C\n0.730892 0.375183 0.455519 C\n0.205058 0.640397 0.189848 O\n0.688143 0.991945 0.661949 O\n0.968754 0.374711 0.917175 O\n0.683626 0.657772 0.313939 O\n0.346012 0.653049 0.010390 O\n0.683614 0.470874 0.502603 O\n0.683785 0.328423 0.359774 O\n0.683064 0.515948 0.170436 O\n0.522977 0.992730 0.495367 O\n0.349324 0.819420 0.496869 O\n0.688549 0.166417 0.836985 O\n0.687001 0.819888 0.836312 O\n0.968971 0.911243 0.456546 O\n0.490528 0.345444 0.189791 O\n0.490304 0.639884 0.484129 O\n0.428608 0.610468 0.216444 O\n0.428534 0.375061 0.455059 O\n0.522698 0.653194 0.837077 O\n0.174244 0.660508 0.836458 O\n0.349409 0.654403 0.663604 O\n0.010206 0.994072 0.012068 O\n0.009442 0.167557 0.836367 O\n0.004606 0.822171 0.838184 O\n0.347807 0.332762 0.661668 O\n0.175552 0.332794 0.835643 O\n0.349938 0.332061 0.010518 O\n0.871098 0.327941 0.171335 O\n0.013404 0.328715 0.314543 O\n0.701359 0.135245 0.189997 O\n0.730080 0.074515 0.456163 O\n0.522935 0.993042 0.177745 O\n0.175690 0.991982 0.178349 O\n0.349429 0.166651 0.177044 O\n0.014029 0.470893 0.171160 O\n0.826869 0.658041 0.171489 O\n0.701548 0.345442 0.978331 O\n0.731338 0.613021 0.916364 O\n0.995750 0.640596 0.977538 O\n0.013251 0.657015 0.358596 O\n0.013362 0.514286 0.501416 O\n0.870542 0.657580 0.501393 O\n0.729853 0.373140 0.754689 O\n0.522769 0.332436 0.836532 O\n0.969199 0.074858 0.218310 O\n0.730250 0.911236 0.216877 O\n0.969787 0.614922 0.752953 O\n0.701714 0.850483 0.483334 O\n0.265585 0.613229 0.458272 O\n0.996116 0.345982 0.693951 O\n0.701176 0.641527 0.693765 O\n0.996221 0.850775 0.189681 O\n0.205123 0.345396 0.483328 O\n0.175376 0.994462 0.495679 O\n0.688169 0.994198 0.011197 O\n0.995870 0.135585 0.483027 O\n0.348587 0.167662 0.495397 O\n0.348524 0.818187 0.176605 O\n0.827084 0.328219 0.502011 O\n0.009625 0.994826 0.662047 O\n0.265366 0.372699 0.215605 O\n0.236848 0.106340 0.722501 O\n0.461411 0.105936 0.950655 O\n0.461063 0.881449 0.722164 O\n0.236497 0.883166 0.950544 O\n0.459499 0.104430 0.723925 O\n0.237943 0.885083 0.725333 O\n0.458921 0.882315 0.949378 O\n0.237934 0.104066 0.948672 O\n",
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"volume_molar": 7.352814959090592,
"formula_full": "Na12 Li4 Y6 Zr6 P12 C4 O68",
"formula_reduced": "Na6Li2Y3Zr3P6(CO17)2",
"formula_anonymous": "A2B2C3D3E6F6G34",
"energy": -885.59922823,
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"updated_at": "2021-11-28T01:38:30.078000Z",
"spacegroup": 1
},
{
"id": "mp-1205167",
"created_at": "2022-09-04T14:45:25.465433Z",
"structure_string": "Na12 Li4 Y12 P12 C4 O60 F8\n1.0\n11.247976 0.000000 0.000000\n0.000000 11.247976 0.000000\n0.000000 0.000000 11.247976\nNa Li Y P C O F\n12 4 12 12 4 60 8\ndirect\n0.334541 0.334541 0.009953 Na\n0.334541 0.665459 0.990047 Na\n0.665459 0.665459 0.009953 Na\n0.665459 0.334541 0.990047 Na\n0.990047 0.665459 0.334541 Na\n0.990047 0.334541 0.665459 Na\n0.009953 0.334541 0.334541 Na\n0.009953 0.665459 0.665459 Na\n0.665459 0.990047 0.334541 Na\n0.665459 0.009953 0.665459 Na\n0.334541 0.009953 0.334541 Na\n0.334541 0.990047 0.665459 Na\n0.802175 0.802175 0.802175 Li\n0.802175 0.197825 0.197825 Li\n0.197825 0.197825 0.802175 Li\n0.197825 0.802175 0.197825 Li\n0.684245 0.000000 0.000000 Y\n0.315755 0.000000 0.000000 Y\n0.000000 0.684245 0.000000 Y\n0.000000 0.315755 0.000000 Y\n0.000000 0.000000 0.684245 Y\n0.000000 0.000000 0.315755 Y\n0.500000 0.500000 0.745634 Y\n0.500000 0.500000 0.254366 Y\n0.500000 0.745634 0.500000 Y\n0.500000 0.254366 0.500000 Y\n0.745634 0.500000 0.500000 Y\n0.254366 0.500000 0.500000 Y\n0.484876 0.186250 0.813750 P\n0.484876 0.813750 0.186250 P\n0.515124 0.813750 0.813750 P\n0.515124 0.186250 0.186250 P\n0.813750 0.515124 0.813750 P\n0.813750 0.484876 0.186250 P\n0.186250 0.484876 0.813750 P\n0.186250 0.515124 0.186250 P\n0.813750 0.186250 0.484876 P\n0.813750 0.813750 0.515124 P\n0.186250 0.813750 0.484876 P\n0.186250 0.186250 0.515124 P\n0.882740 0.117260 0.882740 C\n0.882740 0.882740 0.117260 C\n0.117260 0.882740 0.882740 C\n0.117260 0.117260 0.117260 C\n0.145208 0.357832 0.854792 O\n0.145208 0.642168 0.145208 O\n0.854792 0.642168 0.854792 O\n0.854792 0.357832 0.145208 O\n0.500230 0.680548 0.844912 O\n0.500230 0.319452 0.155088 O\n0.499770 0.319452 0.844912 O\n0.499770 0.680548 0.155088 O\n0.499770 0.155088 0.680548 O\n0.499770 0.844912 0.319452 O\n0.500230 0.844912 0.680548 O\n0.500230 0.155088 0.319452 O\n0.844912 0.500230 0.680548 O\n0.844912 0.499770 0.319452 O\n0.155088 0.499770 0.680548 O\n0.155088 0.500230 0.319452 O\n0.680548 0.500230 0.844912 O\n0.680548 0.499770 0.155088 O\n0.319452 0.499770 0.844912 O\n0.319452 0.500230 0.155088 O\n0.357832 0.145208 0.854792 O\n0.357832 0.854792 0.145208 O\n0.642168 0.854792 0.854792 O\n0.642168 0.145208 0.145208 O\n0.883438 0.418504 0.883438 O\n0.883438 0.581496 0.116562 O\n0.116562 0.581496 0.883438 O\n0.116562 0.418504 0.116562 O\n0.581496 0.116562 0.883438 O\n0.581496 0.883438 0.116562 O\n0.418504 0.883438 0.883438 O\n0.418504 0.116562 0.116562 O\n0.155088 0.680548 0.499770 O\n0.155088 0.319452 0.500230 O\n0.844912 0.319452 0.499770 O\n0.844912 0.680548 0.500230 O\n0.680548 0.155088 0.499770 O\n0.680548 0.844912 0.500230 O\n0.319452 0.844912 0.499770 O\n0.319452 0.155088 0.500230 O\n0.854792 0.145208 0.357832 O\n0.854792 0.854792 0.642168 O\n0.145208 0.854792 0.357832 O\n0.145208 0.145208 0.642168 O\n0.883438 0.116562 0.581496 O\n0.883438 0.883438 0.418504 O\n0.116562 0.883438 0.581496 O\n0.116562 0.116562 0.418504 O\n0.836481 0.836481 0.022702 O\n0.836481 0.163519 0.977298 O\n0.163519 0.163519 0.022702 O\n0.163519 0.836481 0.977298 O\n0.977298 0.836481 0.163519 O\n0.977298 0.163519 0.836481 O\n0.022702 0.163519 0.163519 O\n0.022702 0.836481 0.836481 O\n0.836481 0.022702 0.836481 O\n0.836481 0.977298 0.163519 O\n0.163519 0.977298 0.836481 O\n0.163519 0.022702 0.163519 O\n0.617467 0.617467 0.617467 F\n0.617467 0.382533 0.382533 F\n0.382533 0.382533 0.617467 F\n0.382533 0.617467 0.382533 F\n0.611407 0.611407 0.388593 F\n0.611407 0.388593 0.611407 F\n0.388593 0.388593 0.388593 F\n0.388593 0.611407 0.611407 F\n",
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"formula_full": "Na12 Li4 Y12 P12 C4 O60 F8",
"formula_reduced": "Na3LiY3P3CO15F2",
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"energy": -866.16600858,
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"updated_at": "2021-11-28T01:37:04.236000Z",
"spacegroup": 215
},
{
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},
{
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{
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}
]
}