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{
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{
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{
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"created_at": "2022-09-04T14:39:09.996954Z",
"structure_string": "Mg4 H32 N8 F16\n1.0\n5.770364 0.000000 0.000000\n0.000000 5.885887 0.000000\n0.000000 0.316230 13.840688\nMg H N F\n4 32 8 16\ndirect\n0.500000 0.000000 0.500000 Mg\n0.000000 0.000000 0.000000 Mg\n0.000000 0.500000 0.500000 Mg\n0.500000 0.500000 0.000000 Mg\n0.563684 0.353572 0.629610 H\n0.063684 0.646428 0.870390 H\n0.436316 0.646428 0.370390 H\n0.936316 0.353572 0.129610 H\n0.314399 0.495480 0.643083 H\n0.814399 0.504520 0.856917 H\n0.685601 0.504520 0.356917 H\n0.185601 0.495480 0.143083 H\n0.510083 0.499015 0.734426 H\n0.010083 0.500985 0.765574 H\n0.489917 0.500985 0.265574 H\n0.989917 0.499015 0.234426 H\n0.567627 0.635371 0.625495 H\n0.067627 0.364629 0.874505 H\n0.432373 0.364629 0.374505 H\n0.932373 0.635371 0.125495 H\n0.986073 0.989211 0.734828 H\n0.486073 0.010789 0.765172 H\n0.013927 0.010789 0.265172 H\n0.513927 0.989211 0.234828 H\n0.963686 0.822252 0.635907 H\n0.463686 0.177748 0.864093 H\n0.036314 0.177748 0.364093 H\n0.536314 0.822252 0.135907 H\n0.191503 0.996691 0.646547 H\n0.691503 0.003309 0.853453 H\n0.808497 0.003309 0.353453 H\n0.308497 0.996691 0.146547 H\n0.923902 0.101335 0.620905 H\n0.423902 0.898665 0.879095 H\n0.076098 0.898665 0.379095 H\n0.576098 0.101335 0.120905 H\n0.491111 0.495805 0.659097 N\n0.991111 0.504195 0.840903 N\n0.508889 0.504195 0.340903 N\n0.008889 0.495805 0.159097 N\n0.013441 0.979060 0.660228 N\n0.513441 0.020940 0.839772 N\n0.986559 0.020940 0.339772 N\n0.486559 0.979060 0.160228 N\n0.476806 0.000000 0.643308 F\n0.976806 0.000000 0.856692 F\n0.523194 0.000000 0.356692 F\n0.023194 0.000000 0.143308 F\n0.020506 0.494302 0.645605 F\n0.520506 0.505698 0.854395 F\n0.979494 0.505698 0.354395 F\n0.479494 0.494302 0.145605 F\n0.242400 0.756303 0.486298 F\n0.742400 0.243697 0.013702 F\n0.757600 0.243697 0.513702 F\n0.257600 0.756303 0.986298 F\n0.257240 0.258552 0.489369 F\n0.757240 0.741448 0.010631 F\n0.742760 0.741448 0.510631 F\n0.242760 0.258552 0.989369 F\n",
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"formula_full": "Mg4 H32 N8 F16",
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"spacegroup": 14
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{
"id": "mp-39536",
"created_at": "2022-09-04T14:47:58.903859Z",
"structure_string": "Ca1 C2 S2 O6 F6\n1.0\n10.603161 -2.883494 0.000000\n10.603161 2.883494 0.000000\n9.819005 0.000000 4.932415\nCa C S O F\n1 2 2 6 6\ndirect\n0.000000 0.000000 0.000000 Ca\n0.780105 0.780105 0.780105 C\n0.219895 0.219895 0.219895 C\n0.720515 0.720515 0.720515 S\n0.279485 0.279485 0.279485 S\n0.147161 0.574087 0.151377 O\n0.151377 0.147161 0.574087 O\n0.574087 0.151377 0.147161 O\n0.425913 0.848623 0.852839 O\n0.848623 0.852839 0.425913 O\n0.852839 0.425913 0.848623 O\n0.043641 0.625419 0.714884 F\n0.625419 0.714884 0.043641 F\n0.714884 0.043641 0.625419 F\n0.285116 0.956359 0.374581 F\n0.374581 0.285116 0.956359 F\n0.956359 0.374581 0.285116 F\n",
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"formula_full": "Ca1 C2 S2 O6 F6",
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{
"id": "mp-554947",
"created_at": "2022-09-04T14:39:48.370930Z",
"structure_string": "Na6 Si6 B6 O24\n1.0\n4.067380 -7.044909 0.000000\n4.067380 7.044909 0.000000\n0.000000 0.000000 7.786419\nNa Si B O\n6 6 6 24\ndirect\n0.000000 0.000000 0.231346 Na\n0.333333 0.666667 0.268500 Na\n0.666667 0.333333 0.768500 Na\n0.666667 0.333333 0.201053 Na\n0.000000 0.000000 0.731346 Na\n0.333333 0.666667 0.701053 Na\n0.682215 0.660584 0.512542 Si\n0.339416 0.021631 0.512542 Si\n0.317785 0.339416 0.012542 Si\n0.021631 0.682215 0.012542 Si\n0.978369 0.317785 0.512542 Si\n0.660584 0.978369 0.012542 Si\n0.017865 0.679770 0.392459 B\n0.338095 0.017865 0.892459 B\n0.320230 0.338095 0.392459 B\n0.679770 0.661905 0.892459 B\n0.982135 0.320230 0.892459 B\n0.661905 0.982135 0.392459 B\n0.189476 0.398612 0.892737 O\n0.090895 0.723136 0.212792 O\n0.139916 0.254235 0.489612 O\n0.367759 0.090895 0.712792 O\n0.885681 0.139916 0.989612 O\n0.632241 0.909105 0.212792 O\n0.398612 0.209136 0.392737 O\n0.114319 0.860084 0.489612 O\n0.472070 0.928609 0.466692 O\n0.209136 0.810524 0.892737 O\n0.071391 0.543461 0.466692 O\n0.254235 0.114319 0.989612 O\n0.928609 0.456539 0.966692 O\n0.909105 0.276864 0.712792 O\n0.276864 0.367759 0.212792 O\n0.860084 0.745765 0.989612 O\n0.456539 0.527930 0.466692 O\n0.543461 0.472070 0.966692 O\n0.810524 0.601388 0.392737 O\n0.723136 0.632241 0.712792 O\n0.745765 0.885681 0.489612 O\n0.527930 0.071391 0.966692 O\n0.601388 0.790864 0.892737 O\n0.790864 0.189476 0.392737 O\n",
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{
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{
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"structure_string": "Rb1 Be2 B1 O3 F2\n1.0\n6.942538 -2.236179 0.000000\n6.942538 2.236179 0.000000\n6.222269 0.000000 3.805615\nRb Be B O F\n1 2 1 3 2\ndirect\n0.000000 0.000000 0.000000 Rb\n0.805556 0.805556 0.805556 Be\n0.194444 0.194444 0.194444 Be\n0.500000 0.500000 0.500000 B\n0.191252 0.808748 0.500000 O\n0.500000 0.191252 0.808748 O\n0.808748 0.500000 0.191252 O\n0.729938 0.729938 0.729938 F\n0.270062 0.270062 0.270062 F\n",
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{
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"structure_string": "Sm4 Mg4 B20 O40\n1.0\n7.682532 0.000000 0.000000\n0.000000 8.707369 0.000000\n0.000000 8.203545 9.457238\nSm Mg B O\n4 4 20 40\ndirect\n0.186622 0.947829 0.237707 Sm\n0.813378 0.052171 0.762293 Sm\n0.686622 0.052171 0.262293 Sm\n0.313378 0.947829 0.737707 Sm\n0.909344 0.523136 0.373593 Mg\n0.090656 0.476864 0.626407 Mg\n0.409344 0.476864 0.126407 Mg\n0.590656 0.523136 0.873593 Mg\n0.826343 0.910318 0.105366 B\n0.173657 0.089682 0.894634 B\n0.326343 0.089682 0.394634 B\n0.673657 0.910318 0.605366 B\n0.577455 0.655467 0.260008 B\n0.422545 0.344533 0.739992 B\n0.077455 0.344533 0.239992 B\n0.922545 0.655467 0.760008 B\n0.813869 0.480003 0.087567 B\n0.186131 0.519997 0.912433 B\n0.313869 0.519997 0.412433 B\n0.686131 0.480003 0.587567 B\n0.467440 0.723627 0.555774 B\n0.532560 0.276373 0.444226 B\n0.967440 0.276373 0.944226 B\n0.032560 0.723627 0.055774 B\n0.598088 0.844111 0.998869 B\n0.401912 0.155889 0.001131 B\n0.098088 0.155889 0.501131 B\n0.901912 0.844111 0.498869 B\n0.914676 0.315619 0.192776 O\n0.085324 0.684381 0.807224 O\n0.414676 0.684381 0.307224 O\n0.585324 0.315619 0.692776 O\n0.875161 0.674875 0.009944 O\n0.124839 0.325125 0.990056 O\n0.375161 0.325125 0.490056 O\n0.624839 0.674875 0.509944 O\n0.391605 0.908677 0.418876 O\n0.608395 0.091323 0.581124 O\n0.891605 0.091323 0.081124 O\n0.108395 0.908677 0.918876 O\n0.712231 0.799619 0.232539 O\n0.287769 0.200381 0.767461 O\n0.212231 0.200381 0.267461 O\n0.787769 0.799619 0.732539 O\n0.652182 0.428474 0.071487 O\n0.347818 0.571526 0.928513 O\n0.152182 0.571526 0.428513 O\n0.847818 0.428474 0.571487 O\n0.773292 0.971392 0.482719 O\n0.226708 0.028608 0.517281 O\n0.273292 0.028608 0.017281 O\n0.726708 0.971392 0.982719 O\n0.651129 0.450279 0.366139 O\n0.348871 0.549721 0.633861 O\n0.151129 0.549721 0.133861 O\n0.848871 0.450279 0.866139 O\n0.531518 0.686852 0.130250 O\n0.468482 0.313148 0.869750 O\n0.031518 0.313148 0.369750 O\n0.968482 0.686852 0.630250 O\n0.952682 0.878680 0.381020 O\n0.047318 0.121320 0.618980 O\n0.452682 0.121320 0.118980 O\n0.547318 0.878680 0.881020 O\n0.972332 0.765991 0.148291 O\n0.027668 0.234009 0.851709 O\n0.472332 0.234009 0.351709 O\n0.527668 0.765991 0.648291 O\n",
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