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{
"id": "mp-764817",
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"structure_string": "Li4 Mg22 W24 O96\n1.0\n10.791981 0.000000 0.000000\n0.000000 10.513398 0.000000\n0.000000 0.160851 17.847396\nLi Mg W O\n4 22 24 96\ndirect\n0.500000 0.381098 0.708528 Li\n0.000000 0.622695 0.293262 Li\n0.500000 0.877910 0.708785 Li\n0.000000 0.949400 0.750865 Li\n0.500000 0.050530 0.250507 Mg\n0.171632 0.129222 0.471442 Mg\n0.828368 0.129222 0.471442 Mg\n0.676478 0.120168 0.968505 Mg\n0.323522 0.120168 0.968505 Mg\n0.000000 0.211847 0.749741 Mg\n0.500000 0.300359 0.248798 Mg\n0.171455 0.377982 0.028204 Mg\n0.828545 0.377982 0.028204 Mg\n0.676810 0.370258 0.531713 Mg\n0.323190 0.370258 0.531713 Mg\n0.500000 0.550279 0.250391 Mg\n0.173580 0.628554 0.471888 Mg\n0.826420 0.628554 0.471888 Mg\n0.323157 0.620384 0.968487 Mg\n0.676843 0.620384 0.968487 Mg\n0.000000 0.683284 0.751983 Mg\n0.500000 0.801005 0.249236 Mg\n0.827160 0.880116 0.028038 Mg\n0.172840 0.880116 0.028038 Mg\n0.677233 0.871823 0.530735 Mg\n0.322767 0.871823 0.530735 Mg\n0.000000 0.110496 0.943590 W\n0.723199 0.110036 0.657856 W\n0.276801 0.110036 0.657856 W\n0.226980 0.137863 0.156691 W\n0.773020 0.137863 0.156691 W\n0.500000 0.140197 0.443622 W\n0.000000 0.360469 0.555066 W\n0.274558 0.362813 0.842999 W\n0.725442 0.362813 0.842999 W\n0.225823 0.391930 0.343711 W\n0.774177 0.391930 0.343711 W\n0.500000 0.389914 0.056779 W\n0.000000 0.611774 0.946346 W\n0.718970 0.611778 0.657086 W\n0.281030 0.611778 0.657086 W\n0.227103 0.639207 0.156575 W\n0.772897 0.639207 0.156575 W\n0.500000 0.640419 0.442997 W\n0.000000 0.858526 0.556723 W\n0.271653 0.861311 0.841722 W\n0.728347 0.861311 0.841722 W\n0.223860 0.889646 0.342301 W\n0.776140 0.889646 0.342301 W\n0.500000 0.890015 0.056787 W\n0.142664 0.024381 0.379976 O\n0.857336 0.024381 0.379976 O\n0.500000 0.031911 0.995534 O\n0.735621 0.038325 0.072569 O\n0.264379 0.038325 0.072569 O\n0.633019 0.041001 0.465036 O\n0.366981 0.041001 0.465036 O\n0.137266 0.038670 0.214570 O\n0.862734 0.038670 0.214570 O\n0.869966 0.079330 0.705337 O\n0.130034 0.079330 0.705337 O\n0.000000 0.076366 0.845456 O\n0.500000 0.176038 0.343232 O\n0.625669 0.176157 0.206171 O\n0.374331 0.176157 0.206171 O\n0.134461 0.208145 0.966359 O\n0.865539 0.208145 0.966359 O\n0.238865 0.205866 0.571231 O\n0.761135 0.205866 0.571231 O\n0.629914 0.215992 0.709022 O\n0.370086 0.215992 0.709022 O\n0.000000 0.218879 0.493190 O\n0.639377 0.228600 0.880194 O\n0.360623 0.228600 0.880194 O\n0.142672 0.273909 0.121456 O\n0.857328 0.273909 0.121456 O\n0.500000 0.281787 0.503882 O\n0.632957 0.291262 0.035772 O\n0.367043 0.291262 0.035772 O\n0.737346 0.291170 0.427742 O\n0.262654 0.291170 0.427742 O\n0.135066 0.293157 0.288423 O\n0.864934 0.293157 0.288423 O\n0.000000 0.312881 0.650242 O\n0.134957 0.311930 0.798008 O\n0.865043 0.311930 0.798008 O\n0.500000 0.426844 0.156940 O\n0.626338 0.425932 0.293550 O\n0.373662 0.425932 0.293550 O\n0.136699 0.458338 0.534316 O\n0.863301 0.458338 0.534316 O\n0.634012 0.457636 0.780674 O\n0.365988 0.457636 0.780674 O\n0.235569 0.462946 0.927840 O\n0.764431 0.462946 0.927840 O\n0.000000 0.465900 0.006483 O\n0.635065 0.470686 0.622489 O\n0.364935 0.470686 0.622489 O\n0.138530 0.530235 0.376657 O\n0.861470 0.530235 0.376657 O\n0.500000 0.532511 0.995786 O\n0.737060 0.537820 0.073961 O\n0.262940 0.537820 0.073961 O\n0.633621 0.541062 0.463629 O\n0.366379 0.541062 0.463629 O\n0.131751 0.547154 0.216491 O\n0.868249 0.547154 0.216491 O\n0.135641 0.580597 0.702487 O\n0.864359 0.580597 0.702487 O\n0.000000 0.577836 0.849278 O\n0.500000 0.676325 0.342670 O\n0.625849 0.676492 0.206044 O\n0.374151 0.676492 0.206044 O\n0.135213 0.710146 0.967631 O\n0.864787 0.710146 0.967631 O\n0.240643 0.707637 0.570460 O\n0.759357 0.707637 0.570460 O\n0.628875 0.719764 0.709692 O\n0.371125 0.719764 0.709692 O\n0.000000 0.717535 0.494225 O\n0.642326 0.727537 0.878842 O\n0.357674 0.727537 0.878842 O\n0.144510 0.775417 0.121503 O\n0.855490 0.775417 0.121503 O\n0.500000 0.781372 0.503688 O\n0.632757 0.790601 0.035686 O\n0.367243 0.790601 0.035686 O\n0.735732 0.791167 0.426631 O\n0.264268 0.791167 0.426631 O\n0.129511 0.784210 0.291223 O\n0.870489 0.784210 0.291223 O\n0.000000 0.817012 0.653859 O\n0.127981 0.816837 0.795244 O\n0.872019 0.816837 0.795244 O\n0.500000 0.925947 0.156964 O\n0.627273 0.924926 0.293130 O\n0.372727 0.924926 0.293130 O\n0.135125 0.957694 0.535511 O\n0.864875 0.957694 0.535511 O\n0.635093 0.957331 0.781615 O\n0.364907 0.957331 0.781615 O\n0.764266 0.961688 0.926419 O\n0.235734 0.961688 0.926419 O\n0.000000 0.966163 0.004809 O\n0.637617 0.970903 0.623155 O\n0.362383 0.970903 0.623155 O\n",
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"elements": [
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],
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"density": 5.33887065735543,
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"volume": 2024.972536727303,
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"formula_full": "Li4 Mg22 W24 O96",
"formula_reduced": "Li2Mg11(WO4)12",
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"updated_at": "2021-11-28T01:34:43.088000Z",
"spacegroup": 6
},
{
"id": "mp-861871",
"created_at": "2022-09-04T14:39:34.256493Z",
"structure_string": "Se2 I4\n1.0\n8.460407 0.000000 0.000000\n0.000000 8.460407 0.000000\n0.000000 0.000000 3.933051\nSe I\n2 4\ndirect\n0.000000 0.000000 0.000000 Se\n0.500000 0.500000 0.500000 Se\n0.331196 0.331196 0.000000 I\n0.668804 0.668804 0.000000 I\n0.168804 0.831196 0.500000 I\n0.831196 0.168804 0.500000 I\n",
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{
"id": "mp-697840",
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"structure_string": "Ba3 La7 Ti3 Cr7 O30\n1.0\n5.608671 0.000000 0.000000\n-0.064272 7.952566 0.000000\n-2.778209 -3.967917 14.008729\nBa La Ti Cr O\n3 7 3 7 30\ndirect\n0.502521 0.751886 0.001435 Ba\n0.501866 0.248552 0.001729 Ba\n0.899778 0.649179 0.796539 Ba\n0.898522 0.144854 0.799755 La\n0.303595 0.549499 0.596710 La\n0.698974 0.950165 0.396770 La\n0.100792 0.350524 0.205480 La\n0.296100 0.045929 0.599134 La\n0.704196 0.451784 0.404233 La\n0.109634 0.852973 0.201684 La\n0.998494 0.001271 0.000346 Ti\n0.006019 0.498900 0.003899 Ti\n0.402933 0.392888 0.797325 Ti\n0.394897 0.900449 0.797174 Cr\n0.797546 0.296846 0.596813 Cr\n0.800832 0.798789 0.596523 Cr\n0.200489 0.700322 0.400466 Cr\n0.201365 0.199956 0.401151 Cr\n0.606565 0.101048 0.203323 Cr\n0.599477 0.602592 0.203763 Cr\n0.182916 0.445411 0.891675 O\n0.994407 0.247108 0.990691 O\n0.716051 0.946879 0.893322 O\n0.558332 0.868384 0.683807 O\n0.695749 0.457571 0.902958 O\n0.389529 0.633027 0.777957 O\n0.403890 0.154451 0.805508 O\n0.122095 0.317422 0.687668 O\n0.206034 0.948637 0.905686 O\n0.956963 0.269648 0.484398 O\n0.075714 0.895906 0.707650 O\n0.788469 0.035711 0.571230 O\n0.803070 0.553737 0.607831 O\n0.530357 0.712512 0.482548 O\n0.624041 0.316556 0.706472 O\n0.347845 0.664337 0.285047 O\n0.467899 0.288872 0.514124 O\n0.182490 0.437903 0.376593 O\n0.217849 0.961622 0.423762 O\n0.934977 0.111719 0.287567 O\n0.053269 0.728910 0.515627 O\n0.798073 0.061145 0.097596 O\n0.868757 0.686375 0.317378 O\n0.581373 0.847385 0.194899 O\n0.624977 0.362861 0.225545 O\n0.303242 0.531892 0.096100 O\n0.446097 0.137698 0.316680 O\n0.277053 0.075146 0.114364 O\n0.010111 0.756377 0.014212 O\n0.838138 0.543526 0.113468 O\n",
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"formula_full": "Ba3 La7 Ti3 Cr7 O30",
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"spacegroup": 1
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{
"id": "mp-558711",
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"structure_string": "V6 Cd10 P12 O50\n1.0\n2.403419 8.572902 0.000000\n-2.403419 8.572902 0.000000\n0.000000 5.591743 23.990993\nV Cd P O\n6 10 12 50\ndirect\n0.773407 0.764900 0.087058 V\n0.060420 0.939580 0.250000 V\n0.226593 0.235100 0.912942 V\n0.939580 0.060420 0.750000 V\n0.235100 0.226593 0.412942 V\n0.764900 0.773407 0.587058 V\n0.583905 0.536838 0.116444 Cd\n0.536838 0.583905 0.616444 Cd\n0.416095 0.463162 0.883556 Cd\n0.463162 0.416095 0.383556 Cd\n0.692943 0.641010 0.291376 Cd\n0.358990 0.307057 0.208624 Cd\n0.307057 0.358990 0.708624 Cd\n0.641010 0.692943 0.791376 Cd\n0.000000 0.000000 0.500000 Cd\n0.000000 0.000000 0.000000 Cd\n0.188931 0.163731 0.674524 P\n0.811069 0.836269 0.325476 P\n0.163731 0.188931 0.174524 P\n0.836269 0.811069 0.825476 P\n0.673918 0.625995 0.496925 P\n0.115854 0.027148 0.359206 P\n0.374005 0.326082 0.003075 P\n0.625995 0.673918 0.996925 P\n0.972852 0.884146 0.140794 P\n0.884146 0.972852 0.640794 P\n0.027148 0.115854 0.859206 P\n0.326082 0.374005 0.503075 P\n0.437175 0.197366 0.951532 O\n0.137571 0.855715 0.092354 O\n0.019323 0.291684 0.864415 O\n0.708316 0.980677 0.635585 O\n0.754702 0.054631 0.811805 O\n0.686710 0.911852 0.270801 O\n0.942168 0.569840 0.354081 O\n0.662027 0.209535 0.147838 O\n0.313290 0.088148 0.729199 O\n0.144285 0.862429 0.407646 O\n0.280896 0.719104 0.750000 O\n0.337973 0.790465 0.852162 O\n0.444472 0.694188 0.522196 O\n0.569840 0.942168 0.854081 O\n0.911852 0.686710 0.770801 O\n0.057832 0.430160 0.645919 O\n0.868065 0.258054 0.803312 O\n0.945369 0.245298 0.688195 O\n0.131935 0.741946 0.196688 O\n0.873110 0.547282 0.958092 O\n0.741946 0.131935 0.696688 O\n0.054631 0.754702 0.311805 O\n0.100659 0.562467 0.862170 O\n0.655404 0.074548 0.035972 O\n0.790465 0.337973 0.352162 O\n0.802634 0.562825 0.548468 O\n0.126890 0.452718 0.041908 O\n0.344596 0.925452 0.964028 O\n0.862429 0.144285 0.907646 O\n0.694188 0.444472 0.022196 O\n0.719104 0.280896 0.250000 O\n0.437533 0.899341 0.637830 O\n0.855715 0.137571 0.592354 O\n0.074548 0.655404 0.535972 O\n0.547282 0.873110 0.458092 O\n0.305812 0.555528 0.977804 O\n0.430160 0.057832 0.145919 O\n0.258054 0.868065 0.303312 O\n0.555528 0.305812 0.477804 O\n0.899341 0.437533 0.137830 O\n0.925452 0.344596 0.464028 O\n0.291684 0.019323 0.364415 O\n0.088148 0.313290 0.229199 O\n0.980677 0.708316 0.135585 O\n0.562467 0.100659 0.362170 O\n0.197366 0.437175 0.451532 O\n0.245298 0.945369 0.188195 O\n0.209535 0.662027 0.647838 O\n0.452718 0.126890 0.541908 O\n0.562825 0.802634 0.048468 O\n",
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{
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"structure_string": "Li1 H1\n1.0\n0.000000 2.000087 2.000087\n2.000087 0.000000 2.000087\n2.000087 2.000087 0.000000\nLi H\n1 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.500000 0.500000 H\n",
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{
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{
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