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{
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{
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{
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],
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"volume": 487.84661340067134,
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"formula_full": "Y1 N3 Cl6",
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{
"id": "mp-1222235",
"created_at": "2022-09-04T14:46:07.735232Z",
"structure_string": "Mg3 Al12 Fe1 Si4 B4 O36\n1.0\n5.826722 0.000000 0.000000\n0.000000 10.438354 0.000000\n0.000000 0.006195 11.123895\nMg Al Fe Si B O\n3 12 1 4 4 36\ndirect\n0.500000 0.907566 0.219052 Mg\n0.000000 0.407589 0.280812 Mg\n0.000000 0.092167 0.780967 Mg\n0.250072 0.500000 0.499210 Al\n0.749899 0.999884 0.999981 Al\n0.749928 0.500000 0.499210 Al\n0.250101 0.999884 0.999981 Al\n0.500000 0.726462 0.947812 Al\n0.500000 0.773884 0.447844 Al\n0.000000 0.273400 0.052216 Al\n0.000000 0.226323 0.551913 Al\n0.250032 0.999913 0.499994 Al\n0.750051 0.500005 0.000644 Al\n0.749968 0.999913 0.499994 Al\n0.249949 0.500005 0.000644 Al\n0.500000 0.592751 0.718215 Fe\n0.500000 0.935019 0.763741 Si\n0.500000 0.566195 0.263864 Si\n0.000000 0.065965 0.236220 Si\n0.000000 0.432809 0.737140 Si\n0.000000 0.751135 0.500308 B\n0.000000 0.749020 0.000254 B\n0.500000 0.249034 0.499760 B\n0.500000 0.250952 0.999723 B\n0.000000 0.047162 0.599833 O\n0.000000 0.452916 0.099737 O\n0.500000 0.952972 0.400214 O\n0.500000 0.546466 0.903146 O\n0.204109 0.680780 0.000956 O\n0.795753 0.819152 0.501021 O\n0.704442 0.319156 0.998946 O\n0.295730 0.180865 0.498991 O\n0.295558 0.319156 0.998946 O\n0.704270 0.180865 0.498991 O\n0.795891 0.680780 0.000956 O\n0.204247 0.819152 0.501021 O\n0.500000 0.777538 0.790374 O\n0.500000 0.724839 0.288410 O\n0.000000 0.224829 0.211580 O\n0.000000 0.274845 0.711653 O\n0.500000 0.617960 0.519648 O\n0.500000 0.881616 0.022643 O\n0.000000 0.381579 0.477638 O\n0.000000 0.118465 0.977567 O\n0.500000 0.973760 0.620057 O\n0.500000 0.526270 0.120677 O\n0.000000 0.026437 0.379822 O\n0.000000 0.473765 0.879896 O\n0.000000 0.621427 0.496579 O\n0.000000 0.878489 0.996495 O\n0.500000 0.378479 0.503747 O\n0.500000 0.121615 0.003507 O\n0.224883 0.492088 0.669714 O\n0.772338 0.007055 0.170875 O\n0.727835 0.506917 0.329000 O\n0.272019 0.993336 0.829136 O\n0.272165 0.506917 0.329000 O\n0.727981 0.993336 0.829136 O\n0.775117 0.492088 0.669714 O\n0.227662 0.007055 0.170875 O\n",
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"volume": 676.5707215808969,
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"formula_full": "Mg3 Al12 Fe1 Si4 B4 O36",
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"formula_anonymous": "AB3C4D4E12F36",
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"updated_at": "2021-11-28T01:37:22.080000Z",
"spacegroup": 6
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{
"id": "mp-1113264",
"created_at": "2022-09-04T14:46:07.737059Z",
"structure_string": "Cs2 Ag1 Bi1 I6\n1.0\n0.000000 6.126859 6.126859\n6.126859 0.000000 6.126859\n6.126859 6.126859 0.000000\nCs Ag Bi I\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Cs\n0.250000 0.250000 0.250000 Cs\n0.500000 0.500000 0.500000 Ag\n0.000000 0.000000 0.000000 Bi\n0.746940 0.253060 0.253060 I\n0.253060 0.253060 0.746940 I\n0.253060 0.746940 0.746940 I\n0.253060 0.746940 0.253060 I\n0.746940 0.253060 0.746940 I\n0.746940 0.746940 0.253060 I\n",
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"density": 4.852131991768029,
"density_atomic": 0.021739840167417753,
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"formula_full": "Cs2 Ag1 Bi1 I6",
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{
"id": "mp-1199516",
"created_at": "2022-09-04T14:46:07.745139Z",
"structure_string": "Na36 H16 S16 Br4 O80\n1.0\n15.113472 0.000000 0.000000\n0.000000 15.113472 0.000000\n0.000000 0.000000 8.611508\nNa H S Br O\n36 16 16 4 80\ndirect\n0.898186 0.876576 0.184472 Na\n0.101814 0.123424 0.184472 Na\n0.623424 0.398186 0.184472 Na\n0.376576 0.601814 0.184472 Na\n0.601814 0.623424 0.815528 Na\n0.398186 0.376576 0.815528 Na\n0.876576 0.101814 0.815528 Na\n0.123424 0.898186 0.815528 Na\n0.000000 0.000000 0.500000 Na\n0.500000 0.500000 0.500000 Na\n0.877404 0.858800 0.795028 Na\n0.122596 0.141200 0.795028 Na\n0.641200 0.377404 0.795028 Na\n0.358800 0.622596 0.795028 Na\n0.622596 0.641200 0.204972 Na\n0.377404 0.358800 0.204972 Na\n0.858800 0.122596 0.204972 Na\n0.141200 0.877404 0.204972 Na\n0.604200 0.874902 0.312737 Na\n0.395800 0.125098 0.312737 Na\n0.625098 0.104200 0.312737 Na\n0.374902 0.895800 0.312737 Na\n0.895800 0.625098 0.687263 Na\n0.104200 0.374902 0.687263 Na\n0.874902 0.395800 0.687263 Na\n0.125098 0.604200 0.687263 Na\n0.500000 0.000000 0.980479 Na\n0.000000 0.500000 0.019521 Na\n0.620543 0.861153 0.701099 Na\n0.379457 0.138847 0.701099 Na\n0.638847 0.120543 0.701099 Na\n0.361153 0.879457 0.701099 Na\n0.879457 0.638847 0.298901 Na\n0.120543 0.361153 0.298901 Na\n0.861153 0.379457 0.298901 Na\n0.138847 0.620543 0.298901 Na\n0.775650 0.815821 0.381702 H\n0.224350 0.184179 0.381702 H\n0.684179 0.275650 0.381702 H\n0.315821 0.724350 0.381702 H\n0.724350 0.684179 0.618298 H\n0.275650 0.315821 0.618298 H\n0.815821 0.224350 0.618298 H\n0.184179 0.775650 0.618298 H\n0.726902 0.814192 0.112250 H\n0.273098 0.185808 0.112250 H\n0.685808 0.226902 0.112250 H\n0.314192 0.773098 0.112250 H\n0.773098 0.685808 0.887750 H\n0.226902 0.314192 0.887750 H\n0.814192 0.273098 0.887750 H\n0.185808 0.726902 0.887750 H\n0.790306 0.984725 0.496728 S\n0.209694 0.015275 0.496728 S\n0.515275 0.290306 0.496728 S\n0.484725 0.709694 0.496728 S\n0.709694 0.515275 0.503272 S\n0.290306 0.484725 0.503272 S\n0.984725 0.209694 0.503272 S\n0.015275 0.790306 0.503272 S\n0.709848 0.984651 0.000132 S\n0.290152 0.015349 0.000132 S\n0.515349 0.209848 0.000132 S\n0.484651 0.790152 0.000132 S\n0.790152 0.515349 0.999868 S\n0.209848 0.484651 0.999868 S\n0.984651 0.290152 0.999868 S\n0.015349 0.709848 0.999868 S\n0.000000 0.000000 0.000000 Br\n0.500000 0.500000 0.000000 Br\n0.500000 0.000000 0.507670 Br\n0.000000 0.500000 0.492330 Br\n0.791939 0.774197 0.294549 O\n0.208061 0.225803 0.294549 O\n0.725803 0.291939 0.294549 O\n0.274197 0.708061 0.294549 O\n0.708061 0.725803 0.705451 O\n0.291939 0.274197 0.705451 O\n0.774197 0.208061 0.705451 O\n0.225803 0.791939 0.705451 O\n0.710582 0.773979 0.201304 O\n0.289418 0.226021 0.201304 O\n0.726021 0.210582 0.201304 O\n0.273979 0.789418 0.201304 O\n0.789418 0.726021 0.798696 O\n0.210582 0.273979 0.798696 O\n0.773979 0.289418 0.798696 O\n0.226021 0.710582 0.798696 O\n0.733205 0.064646 0.497311 O\n0.266795 0.935354 0.497311 O\n0.435354 0.233205 0.497311 O\n0.564646 0.766795 0.497311 O\n0.766795 0.435354 0.502689 O\n0.233205 0.564646 0.502689 O\n0.064646 0.266795 0.502689 O\n0.935354 0.733205 0.502689 O\n0.846609 0.983172 0.639724 O\n0.153391 0.016828 0.639724 O\n0.516828 0.346609 0.639724 O\n0.483172 0.653391 0.639724 O\n0.653391 0.516828 0.360276 O\n0.346609 0.483172 0.360276 O\n0.983172 0.153391 0.360276 O\n0.016828 0.846609 0.360276 O\n0.734173 0.902371 0.491710 O\n0.265827 0.097629 0.491710 O\n0.597629 0.234173 0.491710 O\n0.402371 0.765827 0.491710 O\n0.765827 0.597629 0.508290 O\n0.234173 0.402371 0.508290 O\n0.902371 0.265827 0.508290 O\n0.097629 0.734173 0.508290 O\n0.850067 0.986830 0.358075 O\n0.149933 0.013170 0.358075 O\n0.513170 0.350067 0.358075 O\n0.486830 0.649933 0.358075 O\n0.649933 0.513170 0.641925 O\n0.350067 0.486830 0.641925 O\n0.986830 0.149933 0.641925 O\n0.013170 0.850067 0.641925 O\n0.767288 0.064428 0.000301 O\n0.232712 0.935572 0.000301 O\n0.435572 0.267288 0.000301 O\n0.564428 0.732712 0.000301 O\n0.732712 0.435572 0.999699 O\n0.267288 0.564428 0.999699 O\n0.064428 0.232712 0.999699 O\n0.935572 0.767288 0.999699 O\n0.652790 0.985184 0.857869 O\n0.347210 0.014816 0.857869 O\n0.514816 0.152790 0.857869 O\n0.485184 0.847210 0.857869 O\n0.847210 0.514816 0.142131 O\n0.152790 0.485184 0.142131 O\n0.985184 0.347210 0.142131 O\n0.014816 0.652790 0.142131 O\n0.765831 0.902138 0.001527 O\n0.234169 0.097862 0.001527 O\n0.597862 0.265831 0.001527 O\n0.402138 0.734169 0.001527 O\n0.734169 0.597862 0.998473 O\n0.265831 0.402138 0.998473 O\n0.902138 0.234169 0.998473 O\n0.097862 0.765831 0.998473 O\n0.650893 0.985203 0.139543 O\n0.349107 0.014797 0.139543 O\n0.514797 0.150893 0.139543 O\n0.485203 0.849107 0.139543 O\n0.849107 0.514797 0.860457 O\n0.150893 0.485203 0.860457 O\n0.985203 0.349107 0.860457 O\n0.014797 0.650893 0.860457 O\n",
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{
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"structure_string": "Ho5 Mo2 O12\n1.0\n2.995277 6.161147 0.000000\n-2.995277 6.161147 0.000000\n0.000000 2.182557 6.978258\nHo Mo O\n5 2 12\ndirect\n0.300162 0.300162 0.363880 Ho\n0.699838 0.699838 0.636120 Ho\n0.308975 0.308975 0.822870 Ho\n0.691025 0.691025 0.177130 Ho\n0.000000 0.000000 0.500000 Ho\n0.752742 0.247258 0.000000 Mo\n0.247258 0.752742 0.000000 Mo\n0.899252 0.433996 0.913087 O\n0.433996 0.899252 0.913087 O\n0.100748 0.566004 0.086913 O\n0.566004 0.100748 0.086913 O\n0.096456 0.597159 0.572411 O\n0.597159 0.096456 0.572411 O\n0.903544 0.402841 0.427589 O\n0.402841 0.903544 0.427589 O\n0.996539 0.996539 0.813181 O\n0.003461 0.003461 0.186819 O\n0.498588 0.498588 0.802658 O\n0.501412 0.501412 0.197342 O\n",
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{
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{
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{
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{
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}
]
}