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{
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"structure_string": "Mn1 H36 C60 N12\n1.0\n10.079221 0.000000 0.000000\n1.945545 10.171986 0.000000\n1.916713 1.936393 10.340588\nMn H C N\n1 36 60 12\ndirect\n0.000000 0.000000 0.000000 Mn\n0.114087 0.727833 0.085616 H\n0.885913 0.272167 0.914384 H\n0.036230 0.731678 0.960581 H\n0.963770 0.268322 0.039419 H\n0.190746 0.772731 0.938752 H\n0.809254 0.227269 0.061248 H\n0.062668 0.149832 0.741485 H\n0.937332 0.850168 0.258515 H\n0.175688 0.014316 0.756682 H\n0.824312 0.985684 0.243318 H\n0.021501 0.006643 0.727760 H\n0.978499 0.993357 0.272240 H\n0.805400 0.980587 0.856498 H\n0.194600 0.019413 0.143502 H\n0.806942 0.849587 0.973170 H\n0.193058 0.150413 0.026830 H\n0.719073 0.997413 0.002583 H\n0.280927 0.002587 0.997417 H\n0.946374 0.578312 0.837693 H\n0.053626 0.421688 0.162307 H\n0.791702 0.651938 0.876579 H\n0.208298 0.348062 0.123421 H\n0.872976 0.557597 0.988998 H\n0.127024 0.442403 0.011002 H\n0.526810 0.193761 0.064783 H\n0.473190 0.806239 0.935217 H\n0.539082 0.073346 0.191398 H\n0.460918 0.926654 0.808602 H\n0.468170 0.055403 0.071842 H\n0.531830 0.944597 0.928158 H\n0.956585 0.899878 0.555655 H\n0.043415 0.100122 0.444345 H\n0.910613 0.805377 0.692645 H\n0.089387 0.194623 0.307355 H\n0.801140 0.928871 0.629756 H\n0.198860 0.071129 0.370244 H\n0.797416 0.467127 0.648088 C\n0.202584 0.532873 0.351912 C\n0.847842 0.391871 0.544625 C\n0.152158 0.608129 0.455375 C\n0.760977 0.607410 0.617615 C\n0.239023 0.392590 0.382385 C\n0.712395 0.388849 0.748004 C\n0.287605 0.611151 0.251996 C\n0.860825 0.458639 0.414974 C\n0.139175 0.541361 0.585026 C\n0.794091 0.266576 0.580333 C\n0.205909 0.733424 0.419667 C\n0.774336 0.676065 0.484261 C\n0.225664 0.323935 0.515739 C\n0.824123 0.603277 0.383735 C\n0.175877 0.396723 0.616265 C\n0.638002 0.672672 0.686292 C\n0.361998 0.327328 0.313708 C\n0.709664 0.264654 0.705953 C\n0.290336 0.735346 0.294047 C\n0.592595 0.452497 0.814834 C\n0.407405 0.547503 0.185166 C\n0.555208 0.596946 0.783165 C\n0.444792 0.403054 0.216835 C\n0.820434 0.402224 0.317449 C\n0.179566 0.597776 0.682551 C\n0.660376 0.784518 0.470436 C\n0.339624 0.215482 0.529564 C\n0.754268 0.212158 0.485596 C\n0.245732 0.787842 0.514404 C\n0.576077 0.782924 0.595360 C\n0.423923 0.217076 0.404640 C\n0.767751 0.281104 0.351907 C\n0.232249 0.718896 0.648093 C\n0.588766 0.208768 0.732099 C\n0.411234 0.791232 0.267901 C\n0.468249 0.394614 0.842015 C\n0.531751 0.605386 0.157985 C\n0.761631 0.636432 0.266768 C\n0.238369 0.363568 0.733232 C\n0.407796 0.628389 0.792140 C\n0.592204 0.371611 0.207860 C\n0.465581 0.274441 0.801387 C\n0.534419 0.725559 0.198613 C\n0.758595 0.512131 0.225822 C\n0.241405 0.487869 0.774178 C\n0.599327 0.816801 0.356861 C\n0.400673 0.183199 0.643139 C\n0.433190 0.813313 0.603990 C\n0.566810 0.186687 0.396010 C\n0.630021 0.153674 0.512878 C\n0.369979 0.846326 0.487122 C\n0.353956 0.503382 0.827416 C\n0.646044 0.496618 0.172584 C\n0.650255 0.741666 0.253413 C\n0.349745 0.258334 0.746587 C\n0.548207 0.152198 0.634244 C\n0.451793 0.847802 0.365756 C\n0.347675 0.735061 0.703600 C\n0.652325 0.264939 0.296400 C\n0.097506 0.780771 0.995875 N\n0.902494 0.219229 0.004125 N\n0.073869 0.049582 0.778957 N\n0.926131 0.950418 0.221043 N\n0.807552 0.950704 0.953892 N\n0.192448 0.049296 0.046108 N\n0.885904 0.627623 0.905998 N\n0.114096 0.372377 0.094002 N\n0.547352 0.092183 0.092732 N\n0.452648 0.907817 0.907268 N\n0.900755 0.902691 0.645339 N\n0.099245 0.097309 0.354661 N\n",
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"volume_molar": 5.857365985455416,
"formula_full": "Mn1 H36 C60 N12",
"formula_reduced": "MnH36(C5N)12",
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"updated_at": "2021-11-28T01:36:29.924000Z",
"spacegroup": 2
},
{
"id": "mp-1208625",
"created_at": "2022-09-04T14:44:15.040056Z",
"structure_string": "Sr2 Li2 V2 F12\n1.0\n2.664994 -4.615905 0.000000\n2.664994 4.615905 0.000000\n0.000000 0.000000 10.499196\nSr Li V F\n2 2 2 12\ndirect\n0.000000 0.000000 0.500000 Sr\n0.000000 0.000000 0.000000 Sr\n0.333333 0.666667 0.750000 Li\n0.666667 0.333333 0.250000 Li\n0.666667 0.333333 0.750000 V\n0.333333 0.666667 0.250000 V\n0.644796 0.014598 0.644642 F\n0.355204 0.985402 0.355358 F\n0.985402 0.630198 0.644642 F\n0.644796 0.630198 0.855358 F\n0.014598 0.369802 0.355358 F\n0.355204 0.369802 0.144642 F\n0.369802 0.355204 0.644642 F\n0.985402 0.355204 0.855358 F\n0.630198 0.644796 0.355358 F\n0.014598 0.644796 0.144642 F\n0.369802 0.014598 0.855358 F\n0.630198 0.985402 0.144642 F\n",
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"formula_full": "Sr2 Li2 V2 F12",
"formula_reduced": "SrLiVF6",
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{
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"created_at": "2022-09-04T14:44:15.047104Z",
"structure_string": "Y11 Ta5 O28\n1.0\n7.451685 0.000000 0.000000\n0.000000 7.467111 0.000000\n0.000000 0.080526 10.534454\nY Ta O\n11 5 28\ndirect\n0.757447 0.477973 0.996572 Y\n0.242553 0.477973 0.996572 Y\n0.000000 0.266892 0.730394 Y\n0.500000 0.235054 0.762119 Y\n0.000000 0.732893 0.732447 Y\n0.500000 0.751486 0.757099 Y\n0.247920 0.003842 0.503169 Y\n0.752080 0.003842 0.503169 Y\n0.000000 0.763534 0.243719 Y\n0.000000 0.238450 0.245076 Y\n0.500000 0.264362 0.265257 Y\n0.748553 0.998164 0.003320 Ta\n0.251447 0.998164 0.003320 Ta\n0.275189 0.495264 0.513392 Ta\n0.724811 0.495264 0.513392 Ta\n0.500000 0.729910 0.273521 Ta\n0.784663 0.197122 0.879757 O\n0.215337 0.197122 0.879757 O\n0.780698 0.797974 0.886211 O\n0.219302 0.797974 0.886211 O\n0.000000 0.497561 0.865608 O\n0.500000 0.493590 0.878712 O\n0.000000 0.000080 0.632922 O\n0.500000 0.998000 0.636082 O\n0.267294 0.714019 0.620930 O\n0.732706 0.714019 0.620930 O\n0.730862 0.284075 0.627940 O\n0.269138 0.284075 0.627940 O\n0.000000 0.501150 0.569341 O\n0.500000 0.510317 0.404148 O\n0.753281 0.697654 0.364021 O\n0.246719 0.697654 0.364021 O\n0.768598 0.293304 0.382732 O\n0.231402 0.293304 0.382732 O\n0.000000 0.995348 0.368019 O\n0.500000 0.975678 0.360926 O\n0.000000 0.506956 0.133812 O\n0.500000 0.527059 0.152649 O\n0.724721 0.215252 0.121997 O\n0.275279 0.215252 0.121997 O\n0.683258 0.835611 0.144253 O\n0.316742 0.835611 0.144253 O\n0.000000 0.983260 0.076324 O\n0.500000 0.007912 0.935434 O\n",
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{
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"structure_string": "Ba1 La1 Mg1 Ru1 O6\n1.0\n-2.832376 2.832376 4.074920\n2.832376 -2.832376 4.074920\n2.832376 2.832376 -4.074920\nBa La Mg Ru O\n1 1 1 1 6\ndirect\n0.000000 0.000000 0.000000 Ba\n0.500000 0.500000 0.000000 La\n0.250000 0.750000 0.500000 Mg\n0.750000 0.250000 0.500000 Ru\n0.993381 0.493381 0.500000 O\n0.535731 0.522273 0.592774 O\n0.057043 0.464269 0.986542 O\n0.506619 0.006619 0.500000 O\n0.477727 0.070501 0.013458 O\n0.929499 0.942957 0.407226 O\n",
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{
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"structure_string": "Rb8 W13 O43\n1.0\n7.300540 0.000000 0.000000\n-3.432747 6.539286 0.000000\n-2.519056 -2.038864 23.801633\nRb W O\n8 13 43\ndirect\n0.993554 0.479624 0.912223 Rb\n0.547347 0.731919 0.844667 Rb\n0.473196 0.744289 0.657095 Rb\n0.037637 0.988765 0.598004 Rb\n0.973064 0.964500 0.418400 Rb\n0.576581 0.246812 0.362692 Rb\n0.416537 0.221298 0.145120 Rb\n0.021491 0.468762 0.087307 Rb\n0.436025 0.960401 0.005269 W\n0.527068 0.503263 0.997658 W\n0.948472 0.228491 0.758122 W\n0.029207 0.760269 0.747216 W\n0.204965 0.112273 0.878287 W\n0.526501 0.014165 0.500734 W\n0.482377 0.728356 0.248781 W\n0.691362 0.362327 0.631293 W\n0.782265 0.894308 0.119356 W\n0.001500 0.754966 0.248870 W\n0.977886 0.238825 0.252093 W\n0.209268 0.619774 0.381302 W\n0.451883 0.483295 0.507185 W\n0.178197 0.269594 0.817013 O\n0.764676 0.610296 0.964603 O\n0.083093 0.524319 0.762671 O\n0.400240 0.362949 0.916531 O\n0.161018 0.897105 0.822685 O\n0.519863 0.776844 0.978132 O\n0.760399 0.640286 0.765145 O\n0.261600 0.888083 0.711967 O\n0.665329 0.519089 0.568317 O\n0.330488 0.982573 0.929463 O\n0.581015 0.777214 0.515109 O\n0.444655 0.722587 0.325867 O\n0.894028 0.615066 0.666895 O\n0.966200 0.045002 0.902609 O\n0.679702 0.165151 0.575505 O\n0.749608 0.138460 0.801146 O\n0.971718 0.005040 0.727560 O\n0.278181 0.894528 0.531159 O\n0.098863 0.753913 0.325313 O\n0.794733 0.228617 0.686690 O\n0.763123 0.131385 0.465906 O\n0.090206 0.050543 0.263581 O\n0.009125 0.025678 0.086617 O\n0.279929 0.826669 0.230438 O\n0.367921 0.873403 0.424241 O\n0.446682 0.300886 0.651216 O\n0.231311 0.391901 0.542074 O\n0.081689 0.366482 0.327343 O\n0.465390 0.247903 0.479798 O\n0.717519 0.047728 0.269316 O\n0.279945 0.452078 0.232074 O\n0.615947 0.997928 0.076846 O\n0.348712 0.497717 0.428939 O\n0.546280 0.256383 0.019161 O\n0.898093 0.147002 0.174327 O\n0.975900 0.538826 0.411903 O\n0.914776 0.464613 0.234882 O\n0.647546 0.633766 0.074827 O\n0.724425 0.680735 0.266580 O\n0.251218 0.416851 0.006401 O\n0.918360 0.775942 0.172023 O\n0.554014 0.777135 0.174095 O\n0.200195 0.823502 0.031907 O\n",
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{
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