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{
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},
{
"id": "mp-1199154",
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"structure_string": "P2 H24 C6 N12 O10 F2\n1.0\n6.815973 -0.013378 -0.207433\n-1.350057 8.125601 -1.616836\n-0.155015 -0.027598 10.285346\nP H C N O F\n2 24 6 12 10 2\ndirect\n0.460624 0.873056 0.269852 P\n0.591414 0.870951 0.706205 P\n0.386533 0.826247 0.472865 H\n0.687724 0.468377 0.968100 H\n0.615050 0.252845 0.937807 H\n0.199280 0.460073 0.995753 H\n0.009547 0.589639 0.002043 H\n0.846617 0.093075 0.918650 H\n0.317269 0.970874 0.929084 H\n0.060927 0.909495 0.946727 H\n0.995889 0.561416 0.327660 H\n0.799184 0.680622 0.314283 H\n0.469611 0.548871 0.327628 H\n0.420229 0.336377 0.304514 H\n0.657696 0.188990 0.304718 H\n0.134539 0.077151 0.294907 H\n0.872638 0.005516 0.278328 H\n0.052069 0.181018 0.627822 H\n0.249787 0.059327 0.624187 H\n0.571433 0.189647 0.628422 H\n0.631232 0.401847 0.649499 H\n0.395947 0.555939 0.664452 H\n0.178330 0.735388 0.655790 H\n0.919913 0.670538 0.665987 H\n0.742147 0.771511 0.069981 H\n0.723586 0.747841 0.912526 H\n0.916405 0.343171 0.968675 C\n0.161983 0.158263 0.952519 C\n0.717477 0.437449 0.316227 C\n0.971821 0.259538 0.308045 C\n0.330721 0.305466 0.637924 C\n0.080299 0.486605 0.652997 C\n0.724320 0.354039 0.961338 N\n0.054581 0.477947 0.993911 N\n0.966030 0.189459 0.952412 N\n0.177211 0.998032 0.937441 N\n0.849022 0.574702 0.326325 N\n0.522724 0.440410 0.313095 N\n0.774369 0.287356 0.308634 N\n0.992008 0.100614 0.292450 N\n0.198405 0.168323 0.625755 N\n0.524457 0.299683 0.638106 N\n0.276493 0.456947 0.650495 N\n0.062163 0.646222 0.666684 N\n0.361920 0.771585 0.371691 O\n0.438373 0.051703 0.299908 O\n0.665485 0.833321 0.240165 O\n0.406812 0.890134 0.621085 O\n0.616679 0.692446 0.699571 O\n0.616103 0.976742 0.845553 O\n0.309513 0.270290 0.963556 O\n0.115899 0.374988 0.321087 O\n0.934898 0.373295 0.645672 O\n0.799108 0.722786 0.987593 O\n0.317500 0.783879 0.139731 F\n0.776820 0.947625 0.629695 F\n",
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},
{
"id": "mp-1202041",
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"structure_string": "Sr4 P12 H40 C12 N4 O36\n1.0\n14.046250 0.000000 0.000000\n0.000000 8.201971 0.000000\n0.000000 5.335781 9.675135\nSr P H C N O\n4 12 40 12 4 36\ndirect\n0.651207 0.562243 0.923912 Sr\n0.848793 0.562243 0.423912 Sr\n0.348793 0.437757 0.076088 Sr\n0.151207 0.437757 0.576088 Sr\n0.640829 0.359611 0.684682 P\n0.859171 0.359611 0.184682 P\n0.359171 0.640389 0.315318 P\n0.140829 0.640389 0.815318 P\n0.459734 0.782782 0.742256 P\n0.040266 0.782782 0.242256 P\n0.540266 0.217218 0.257744 P\n0.959734 0.217218 0.757744 P\n0.325844 0.163342 0.878816 P\n0.174156 0.163342 0.378816 P\n0.674156 0.836658 0.121184 P\n0.825844 0.836658 0.621184 P\n0.608621 0.040231 0.742648 H\n0.891379 0.040231 0.242648 H\n0.391379 0.959769 0.257352 H\n0.108621 0.959769 0.757352 H\n0.585985 0.195138 0.564748 H\n0.914015 0.195138 0.064748 H\n0.414015 0.804862 0.435252 H\n0.085985 0.804862 0.935252 H\n0.344441 0.024290 0.691120 H\n0.155559 0.024290 0.191120 H\n0.655559 0.975710 0.308880 H\n0.844441 0.975710 0.808880 H\n0.423666 0.083580 0.550351 H\n0.076334 0.083580 0.050351 H\n0.576334 0.916420 0.449649 H\n0.923666 0.916420 0.949649 H\n0.468595 0.974605 0.912074 H\n0.031405 0.974605 0.412074 H\n0.531405 0.025395 0.087926 H\n0.968595 0.025395 0.587926 H\n0.496413 0.210461 0.866014 H\n0.003587 0.210461 0.366014 H\n0.503587 0.789539 0.133986 H\n0.996413 0.789539 0.633986 H\n0.440602 0.290290 0.631922 H\n0.059398 0.290290 0.131922 H\n0.559398 0.709710 0.368078 H\n0.940602 0.709710 0.868078 H\n0.296164 0.866634 0.011885 H\n0.203836 0.866634 0.511885 H\n0.703836 0.133366 0.988115 H\n0.796164 0.133366 0.488115 H\n0.321127 0.661720 0.744653 H\n0.178873 0.661720 0.244653 H\n0.678873 0.338280 0.255347 H\n0.821127 0.338280 0.755347 H\n0.567549 0.628592 0.627194 H\n0.932451 0.628592 0.127194 H\n0.432451 0.371408 0.372806 H\n0.067549 0.371408 0.872806 H\n0.576059 0.173547 0.670087 C\n0.923941 0.173547 0.170087 C\n0.423941 0.826453 0.329913 C\n0.076059 0.826453 0.829913 C\n0.419594 0.026747 0.662938 C\n0.080406 0.026747 0.162938 C\n0.580406 0.973253 0.337062 C\n0.919594 0.973253 0.837062 C\n0.449381 0.120424 0.844716 C\n0.050619 0.120424 0.344716 C\n0.550619 0.879576 0.155284 C\n0.949381 0.879576 0.655284 C\n0.469938 0.161296 0.698847 N\n0.030062 0.161296 0.198847 N\n0.530062 0.838704 0.301153 N\n0.969938 0.838704 0.801153 N\n0.739344 0.368507 0.625700 O\n0.760656 0.368507 0.125700 O\n0.260656 0.631493 0.374300 O\n0.239344 0.631493 0.874300 O\n0.578299 0.538355 0.588005 O\n0.921701 0.538355 0.088005 O\n0.421701 0.461645 0.411995 O\n0.078299 0.461645 0.911995 O\n0.640314 0.325879 0.833156 O\n0.859686 0.325879 0.333156 O\n0.359686 0.674121 0.166844 O\n0.140314 0.674121 0.666844 O\n0.461132 0.691446 0.898431 O\n0.038868 0.691446 0.398431 O\n0.538868 0.308554 0.101569 O\n0.961132 0.308554 0.601569 O\n0.380428 0.697727 0.685934 O\n0.119572 0.697727 0.185934 O\n0.619572 0.302273 0.314066 O\n0.880428 0.302273 0.814066 O\n0.554534 0.768938 0.680423 O\n0.945466 0.768938 0.180423 O\n0.445466 0.231062 0.319577 O\n0.054534 0.231062 0.819577 O\n0.283411 0.306230 0.743204 O\n0.216589 0.306230 0.243204 O\n0.716589 0.693770 0.256796 O\n0.783411 0.693770 0.756796 O\n0.332979 0.202406 0.998734 O\n0.167021 0.202406 0.498734 O\n0.667021 0.797594 0.001266 O\n0.832979 0.797594 0.501266 O\n0.271270 0.970188 0.924533 O\n0.228730 0.970188 0.424533 O\n0.728730 0.029812 0.075467 O\n0.771270 0.029812 0.575467 O\n",
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{
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"formula_full": "K4 Ca4 Co4 C24 S24 O40",
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"updated_at": "2021-11-28T01:34:54.860000Z",
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},
{
"id": "mp-556622",
"created_at": "2022-09-04T14:40:00.460053Z",
"structure_string": "Tl16 Os8 C8 Br16 O8 F24\n1.0\n12.031761 0.000000 0.000000\n0.000000 11.524739 0.000000\n0.000000 11.110902 14.085431\nTl Os C Br O F\n16 8 8 16 8 24\ndirect\n0.937915 0.500853 0.369999 Tl\n0.062085 0.499147 0.630001 Tl\n0.835997 0.488164 0.063234 Tl\n0.437915 0.499147 0.130001 Tl\n0.443344 0.986697 0.650253 Tl\n0.664003 0.488164 0.563234 Tl\n0.335997 0.511836 0.436766 Tl\n0.943344 0.013303 0.849747 Tl\n0.156183 0.212605 0.265748 Tl\n0.343817 0.212605 0.765748 Tl\n0.562085 0.500853 0.869999 Tl\n0.843817 0.787395 0.734252 Tl\n0.164003 0.511836 0.936766 Tl\n0.656183 0.787395 0.234252 Tl\n0.556656 0.013303 0.349747 Tl\n0.056656 0.986697 0.150253 Tl\n0.106026 0.180582 0.611871 Os\n0.099010 0.640335 0.095523 Os\n0.900990 0.359665 0.904477 Os\n0.400990 0.640335 0.595523 Os\n0.393974 0.180582 0.111871 Os\n0.606026 0.819418 0.888129 Os\n0.893974 0.819418 0.388129 Os\n0.599010 0.359665 0.404477 Os\n0.673587 0.184651 0.476265 C\n0.400553 0.152075 0.022929 C\n0.173587 0.815349 0.023735 C\n0.326413 0.815349 0.523735 C\n0.826413 0.184651 0.976265 C\n0.099447 0.152075 0.522929 C\n0.599447 0.847925 0.977071 C\n0.900553 0.847925 0.477071 C\n0.387254 0.911891 0.245950 Br\n0.932834 0.759425 0.103618 Br\n0.315406 0.575197 0.742707 Br\n0.887254 0.088109 0.254050 Br\n0.567166 0.759425 0.603618 Br\n0.100064 0.812227 0.380316 Br\n0.112746 0.911891 0.745950 Br\n0.612746 0.088109 0.754050 Br\n0.684594 0.424803 0.257293 Br\n0.600064 0.187773 0.119684 Br\n0.432834 0.240575 0.396382 Br\n0.899936 0.187773 0.619684 Br\n0.399936 0.812227 0.880316 Br\n0.184594 0.575197 0.242707 Br\n0.815406 0.424803 0.757293 Br\n0.067166 0.240575 0.896382 Br\n0.092091 0.135584 0.464555 O\n0.280215 0.930224 0.478761 O\n0.407909 0.135584 0.964555 O\n0.219785 0.930224 0.978761 O\n0.907909 0.864416 0.535445 O\n0.780215 0.069776 0.021239 O\n0.592091 0.864416 0.035445 O\n0.719785 0.069776 0.521239 O\n0.389320 0.217875 0.213503 F\n0.513207 0.561290 0.322901 F\n0.892518 0.596866 0.481419 F\n0.226670 0.195854 0.114103 F\n0.107482 0.403134 0.518581 F\n0.773330 0.804146 0.885897 F\n0.971823 0.341941 0.013548 F\n0.213956 0.514980 0.092780 F\n0.286044 0.514980 0.592780 F\n0.471823 0.658059 0.486452 F\n0.110680 0.217875 0.713503 F\n0.028177 0.658059 0.986452 F\n0.528177 0.341941 0.513548 F\n0.607482 0.596866 0.981419 F\n0.486793 0.438710 0.677099 F\n0.713956 0.485020 0.407220 F\n0.013207 0.438710 0.177099 F\n0.786044 0.485020 0.907220 F\n0.273330 0.195854 0.614103 F\n0.986793 0.561290 0.822901 F\n0.726670 0.804146 0.385897 F\n0.889320 0.782125 0.286497 F\n0.610680 0.782125 0.786497 F\n0.392518 0.403134 0.018581 F\n",
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"formula_full": "Tl16 Os8 C8 Br16 O8 F24",
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},
{
"id": "mp-1235322",
"created_at": "2022-09-04T14:39:49.195655Z",
"structure_string": "Ba2 Li1 Sm1 Co1 Cu2 O7\n1.0\n3.827668 0.000000 0.000000\n0.000000 4.002341 0.000000\n0.000000 0.000000 12.737859\nBa Li Sm Co Cu O\n2 1 1 1 2 7\ndirect\n0.500000 0.521730 0.214242 Ba\n0.500000 0.521730 0.785758 Ba\n0.500000 0.355335 0.000000 Li\n0.500000 0.505671 0.500000 Sm\n0.000000 0.945186 0.000000 Co\n0.000000 0.007665 0.378579 Cu\n0.000000 0.007665 0.621421 Cu\n0.500000 0.005925 0.381751 O\n0.500000 0.005925 0.618249 O\n0.000000 0.974604 0.144630 O\n0.000000 0.974604 0.855370 O\n0.000000 0.506838 0.380356 O\n0.000000 0.506838 0.619644 O\n0.000000 0.460282 0.000000 O\n",
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"formula_full": "Ba2 Li1 Sm1 Co1 Cu2 O7",
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"spacegroup": 25
}
]
}