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            "structure_string": "La14 Mn16 O45\n1.0\n5.623724 -0.016445 -0.016341\n-0.016121 5.601047 0.029892\n-0.068878 0.155060 31.340967\nLa Mn O\n14 16 45\ndirect\n0.992268 0.977674 0.176321 La\n0.002784 0.987823 0.427645 La\n0.007720 0.970025 0.687362 La\n0.009339 0.975679 0.946485 La\n0.494412 0.486949 0.433319 La\n0.516465 0.484229 0.184985 La\n0.490683 0.469365 0.687528 La\n0.497278 0.475837 0.941726 La\n0.520380 0.528444 0.061839 La\n0.514179 0.535225 0.313746 La\n0.507643 0.531583 0.814899 La\n0.506170 0.533098 0.559817 La\n0.991311 0.030975 0.816078 La\n0.989937 0.032652 0.558764 La\n0.003325 0.486028 0.125871 Mn\n0.994992 0.503494 0.373445 Mn\n0.998476 0.501119 0.623774 Mn\n0.001204 0.500666 0.877554 Mn\n0.999825 0.490295 0.001475 Mn\n0.985210 0.507513 0.250209 Mn\n0.998603 0.505468 0.497227 Mn\n0.998490 0.501133 0.751302 Mn\n0.501024 0.011632 0.369073 Mn\n0.497183 0.999744 0.123013 Mn\n0.509734 0.997836 0.005248 Mn\n0.498759 0.001437 0.623578 Mn\n0.527897 0.995058 0.252977 Mn\n0.496926 0.000347 0.878321 Mn\n0.499571 0.000592 0.751335 Mn\n0.493962 0.004679 0.496302 Mn\n0.078679 0.485173 0.559087 O\n0.080241 0.484101 0.815629 O\n0.213016 0.221128 0.485592 O\n0.221800 0.218284 0.739866 O\n0.237966 0.240801 0.993164 O\n0.240126 0.235415 0.132532 O\n0.238740 0.258922 0.381586 O\n0.217714 0.219063 0.634885 O\n0.214132 0.215968 0.888969 O\n0.293319 0.668789 0.245203 O\n0.263810 0.718204 0.134202 O\n0.262927 0.731564 0.379948 O\n0.276305 0.723064 0.486973 O\n0.281408 0.718069 0.634829 O\n0.279354 0.717917 0.887892 O\n0.279373 0.718049 0.739990 O\n0.273027 0.712927 0.994437 O\n0.445892 0.956181 0.063895 O\n0.420459 0.011560 0.309197 O\n0.420568 0.987094 0.814933 O\n0.419313 0.988869 0.560350 O\n0.570210 0.013468 0.432982 O\n0.580232 0.016755 0.687298 O\n0.543203 0.021730 0.189876 O\n0.576969 0.009986 0.941233 O\n0.725174 0.284970 0.010474 O\n0.727520 0.278655 0.118420 O\n0.694818 0.309922 0.257357 O\n0.720105 0.283511 0.762210 O\n0.718670 0.282725 0.866528 O\n0.731461 0.285371 0.365458 O\n0.716466 0.285702 0.508137 O\n0.717040 0.284716 0.612954 O\n0.761383 0.746319 0.126896 O\n0.777260 0.778594 0.866163 O\n0.771747 0.742950 0.010858 O\n0.788767 0.775803 0.258563 O\n0.755629 0.750860 0.364387 O\n0.781867 0.784566 0.612859 O\n0.778501 0.783945 0.762303 O\n0.772438 0.782184 0.508754 O\n0.964196 0.441098 0.189751 O\n0.921518 0.515726 0.687706 O\n0.926810 0.513521 0.937149 O\n0.923197 0.522379 0.437633 O\n",
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            "volume": 987.1604427923779,
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            "formula_full": "La14 Mn16 O45",
            "formula_reduced": "La14Mn16O45",
            "formula_anonymous": "A14B16C45",
            "energy": -652.3983670599999,
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            "updated_at": "2021-11-28T01:35:43.214000Z",
            "spacegroup": 1
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        {
            "id": "mp-1203896",
            "created_at": "2022-09-04T14:39:43.384343Z",
            "structure_string": "Sn21 H14 Cl16 O20\n1.0\n15.215540 -5.127037 0.000000\n15.215540 5.127037 0.000000\n13.487931 0.000000 8.710620\nSn H Cl O\n21 14 16 20\ndirect\n0.695747 0.695747 0.695747 Sn\n0.304253 0.304253 0.304253 Sn\n0.931341 0.931341 0.931341 Sn\n0.068659 0.068659 0.068659 Sn\n0.411024 0.411024 0.411024 Sn\n0.588976 0.588976 0.588976 Sn\n0.000000 0.265874 0.734126 Sn\n0.265874 0.734126 0.000000 Sn\n0.734126 0.000000 0.265874 Sn\n0.767292 0.500370 0.017003 Sn\n0.500370 0.017003 0.767292 Sn\n0.017003 0.767292 0.500370 Sn\n0.232708 0.982997 0.499630 Sn\n0.499630 0.232708 0.982997 Sn\n0.982997 0.499630 0.232708 Sn\n0.312832 0.910874 0.168581 Sn\n0.910874 0.168581 0.312832 Sn\n0.168581 0.312832 0.910874 Sn\n0.687168 0.831419 0.089126 Sn\n0.089126 0.687168 0.831419 Sn\n0.831419 0.089126 0.687168 Sn\n0.824137 0.824137 0.824137 H\n0.175863 0.175863 0.175863 H\n0.461043 0.153060 0.433695 H\n0.153060 0.433695 0.461043 H\n0.433695 0.461043 0.153060 H\n0.538957 0.566305 0.846940 H\n0.846940 0.538957 0.566305 H\n0.566305 0.846940 0.538957 H\n0.478878 0.301328 0.602943 H\n0.301328 0.602943 0.478878 H\n0.602943 0.478878 0.301328 H\n0.521122 0.397057 0.698672 H\n0.698672 0.521122 0.397057 H\n0.397057 0.698672 0.521122 H\n0.500000 0.500000 0.500000 Cl\n0.500000 0.125076 0.874924 Cl\n0.125076 0.874924 0.500000 Cl\n0.874924 0.500000 0.125076 Cl\n0.046729 0.703093 0.373368 Cl\n0.703093 0.373368 0.046729 Cl\n0.373368 0.046729 0.703093 Cl\n0.953271 0.626632 0.296907 Cl\n0.296907 0.953271 0.626632 Cl\n0.626632 0.296907 0.953271 Cl\n0.392242 0.747764 0.056170 Cl\n0.747764 0.056170 0.392242 Cl\n0.056170 0.392242 0.747764 Cl\n0.607758 0.943830 0.252236 Cl\n0.252236 0.607758 0.943830 Cl\n0.943830 0.252236 0.607758 Cl\n0.845855 0.845855 0.845855 O\n0.154145 0.154145 0.154145 O\n0.916150 0.728169 0.043604 O\n0.728169 0.043604 0.916150 O\n0.043604 0.916150 0.728169 O\n0.083850 0.956396 0.271831 O\n0.271831 0.083850 0.956396 O\n0.956396 0.271831 0.083850 O\n0.436963 0.266422 0.617066 O\n0.266422 0.617066 0.436963 O\n0.617066 0.436963 0.266422 O\n0.563037 0.382934 0.733578 O\n0.733578 0.563037 0.382934 O\n0.382934 0.733578 0.563037 O\n0.665570 0.828167 0.499842 O\n0.828167 0.499842 0.665570 O\n0.499842 0.665570 0.828167 O\n0.334430 0.500158 0.171833 O\n0.171833 0.334430 0.500158 O\n0.500158 0.171833 0.334430 O\n",
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            "formula_full": "Sn21 H14 Cl16 O20",
            "formula_reduced": "Sn21H14(Cl4O5)4",
            "formula_anonymous": "A14B16C20D21",
            "energy": -363.43639795,
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            "updated_at": "2021-11-28T01:34:27.805000Z",
            "spacegroup": 155
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        {
            "id": "mp-531911",
            "created_at": "2022-09-04T14:43:43.041989Z",
            "structure_string": "La14 Mn15 O48\n1.0\n5.474941 0.000000 0.000000\n-0.136361 9.578409 0.000000\n-2.605739 -1.423165 18.076151\nLa Mn O\n14 15 48\ndirect\n0.531856 0.856674 0.059757 La\n0.030758 0.329534 0.060477 La\n0.663876 0.213722 0.313796 La\n0.596080 0.541725 0.193738 La\n0.281565 0.103856 0.567602 La\n0.094871 0.021142 0.182625 La\n0.224023 0.412989 0.438107 La\n0.905129 0.978858 0.817375 La\n0.775977 0.587011 0.561893 La\n0.718435 0.896144 0.432398 La\n0.403920 0.458275 0.806262 La\n0.336124 0.786278 0.686204 La\n0.969242 0.670466 0.939523 La\n0.468144 0.143326 0.940243 La\n0.500000 0.500000 0.000000 Mn\n0.124528 0.378217 0.250690 Mn\n0.066511 0.683744 0.125852 Mn\n0.749225 0.249584 0.501340 Mn\n0.626909 0.870295 0.251787 Mn\n0.690046 0.565310 0.373529 Mn\n0.564530 0.188612 0.127438 Mn\n0.373091 0.129705 0.748213 Mn\n0.250775 0.750416 0.498660 Mn\n0.187961 0.058495 0.374051 Mn\n0.875472 0.621783 0.749310 Mn\n0.812039 0.941505 0.625949 Mn\n0.309954 0.434690 0.626471 Mn\n0.435470 0.811388 0.872562 Mn\n0.933489 0.316256 0.874148 Mn\n0.327354 0.582239 0.077701 O\n0.332694 0.807934 0.178644 O\n0.103397 0.540047 0.196681 O\n0.030794 0.812858 0.054350 O\n0.805865 0.099551 0.081067 O\n0.933879 0.443908 0.325305 O\n0.814494 0.557703 0.060814 O\n0.805234 0.316143 0.190425 O\n0.810377 0.787134 0.170803 O\n0.731357 0.420513 0.448186 O\n0.601369 0.053647 0.200292 O\n0.520458 0.320534 0.046688 O\n0.447602 0.975351 0.326130 O\n0.543027 0.345005 0.565219 O\n0.434503 0.434924 0.310729 O\n0.321408 0.075898 0.068886 O\n0.440520 0.186204 0.435440 O\n0.300314 0.285260 0.173529 O\n0.347018 0.298103 0.697393 O\n0.232645 0.932605 0.454499 O\n0.149594 0.195698 0.295301 O\n0.060580 0.839882 0.575241 O\n0.916906 0.959002 0.313720 O\n0.060822 0.323278 0.554401 O\n0.083094 0.040998 0.686280 O\n0.939178 0.676722 0.445599 O\n0.939420 0.160118 0.424759 O\n0.850406 0.804302 0.704699 O\n0.767355 0.067395 0.545501 O\n0.652982 0.701897 0.302607 O\n0.699686 0.714740 0.826471 O\n0.559480 0.813796 0.564560 O\n0.678592 0.924102 0.931114 O\n0.565497 0.565076 0.689271 O\n0.552398 0.024649 0.673870 O\n0.456973 0.654995 0.434781 O\n0.479542 0.679466 0.953312 O\n0.398631 0.946353 0.799708 O\n0.268643 0.579487 0.551814 O\n0.189623 0.212866 0.829197 O\n0.194766 0.683857 0.809575 O\n0.185506 0.442297 0.939186 O\n0.194135 0.900449 0.918933 O\n0.066121 0.556092 0.674695 O\n0.969206 0.187142 0.945650 O\n0.896603 0.459953 0.803319 O\n0.667306 0.192066 0.821356 O\n0.672646 0.417761 0.922299 O\n",
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        {
            "id": "mp-620609",
            "created_at": "2022-09-04T14:47:24.865240Z",
            "structure_string": "Ba30 Zr28 Se84\n1.0\n12.323008 -0.033628 29.039084\n5.879419 10.830054 29.039084\n-0.056696 -0.033628 31.545550\nBa Zr Se\n30 28 84\ndirect\n0.715882 0.357559 0.076839 Ba\n0.483656 0.807654 0.156777 Ba\n0.156777 0.483656 0.807654 Ba\n0.516344 0.192346 0.843223 Ba\n0.608512 0.250000 0.891488 Ba\n0.357559 0.076839 0.715882 Ba\n0.142441 0.784118 0.423161 Ba\n0.692346 0.016344 0.343223 Ba\n0.284118 0.642441 0.923161 Ba\n0.192346 0.843223 0.516344 Ba\n0.923161 0.284118 0.642441 Ba\n0.784118 0.423161 0.142441 Ba\n0.343223 0.692346 0.016344 Ba\n0.215882 0.576839 0.857559 Ba\n0.656777 0.307654 0.983656 Ba\n0.807654 0.156777 0.483656 Ba\n0.391488 0.750000 0.108512 Ba\n0.423161 0.142441 0.784118 Ba\n0.076839 0.715882 0.357559 Ba\n0.843223 0.516344 0.192346 Ba\n0.250000 0.891488 0.608512 Ba\n0.576839 0.857559 0.215882 Ba\n0.108512 0.391488 0.750000 Ba\n0.891488 0.608512 0.250000 Ba\n0.857559 0.215882 0.576839 Ba\n0.016344 0.343223 0.692346 Ba\n0.307654 0.983656 0.656777 Ba\n0.983656 0.656777 0.307654 Ba\n0.750000 0.108512 0.391488 Ba\n0.642441 0.923161 0.284118 Ba\n0.139390 0.139390 0.139390 Zr\n0.966415 0.966415 0.966415 Zr\n0.360610 0.360610 0.360610 Zr\n0.175366 0.175366 0.175366 Zr\n0.567981 0.567981 0.567981 Zr\n0.212287 0.212287 0.212287 Zr\n0.396724 0.396724 0.396724 Zr\n0.250000 0.250000 0.250000 Zr\n0.896724 0.896724 0.896724 Zr\n0.824634 0.824634 0.824634 Zr\n0.067981 0.067981 0.067981 Zr\n0.639390 0.639390 0.639390 Zr\n0.787713 0.787713 0.787713 Zr\n0.932019 0.932019 0.932019 Zr\n0.466415 0.466415 0.466415 Zr\n0.324634 0.324634 0.324634 Zr\n0.712287 0.712287 0.712287 Zr\n0.432019 0.432019 0.432019 Zr\n0.675366 0.675366 0.675366 Zr\n0.103276 0.103276 0.103276 Zr\n0.287713 0.287713 0.287713 Zr\n0.533585 0.533585 0.533585 Zr\n0.033585 0.033585 0.033585 Zr\n0.000000 0.000000 0.000000 Zr\n0.500000 0.500000 0.500000 Zr\n0.860610 0.860610 0.860610 Zr\n0.603276 0.603276 0.603276 Zr\n0.750000 0.750000 0.750000 Zr\n0.545751 0.203211 0.388332 Se\n0.034773 0.235085 0.883417 Se\n0.079196 0.382507 0.345771 Se\n0.862508 0.689667 0.527221 Se\n0.388332 0.545751 0.203211 Se\n0.883417 0.034773 0.235085 Se\n0.660788 0.480253 0.308094 Se\n0.611668 0.454249 0.796789 Se\n0.839212 0.191906 0.019747 Se\n0.382507 0.345771 0.079196 Se\n0.111668 0.296789 0.954249 Se\n0.160788 0.808094 0.980253 Se\n0.237081 0.583217 0.423034 Se\n0.616583 0.264915 0.465227 Se\n0.519747 0.691906 0.339212 Se\n0.203211 0.388332 0.545751 Se\n0.583217 0.423034 0.237081 Se\n0.004299 0.664609 0.861062 Se\n0.691906 0.339212 0.519747 Se\n0.689667 0.527221 0.862508 Se\n0.420804 0.154229 0.117493 Se\n0.735085 0.534773 0.383417 Se\n0.495701 0.638938 0.835391 Se\n0.345771 0.079196 0.382507 Se\n0.916783 0.262919 0.076966 Se\n0.117493 0.420804 0.154229 Se\n0.480253 0.308094 0.660788 Se\n0.296789 0.954249 0.111668 Se\n0.116583 0.965227 0.764915 Se\n0.617493 0.654229 0.920804 Se\n0.637492 0.972779 0.810333 Se\n0.191906 0.019747 0.839212 Se\n0.465227 0.616583 0.264915 Se\n0.235085 0.883417 0.034773 Se\n0.339212 0.519747 0.691906 Se\n0.189667 0.362508 0.027221 Se\n0.965227 0.764915 0.116583 Se\n0.808094 0.980253 0.160788 Se\n0.361062 0.164609 0.504299 Se\n0.138938 0.995701 0.335391 Se\n0.664609 0.861062 0.004299 Se\n0.534773 0.383417 0.735085 Se\n0.027221 0.189667 0.362508 Se\n0.923034 0.083217 0.737081 Se\n0.423034 0.237081 0.583217 Se\n0.954249 0.111668 0.296789 Se\n0.472779 0.137492 0.310333 Se\n0.076966 0.916783 0.262919 Se\n0.638938 0.835391 0.495701 Se\n0.019747 0.839212 0.191906 Se\n0.888332 0.703211 0.045751 Se\n0.576966 0.762919 0.416783 Se\n0.504299 0.361062 0.164609 Se\n0.920804 0.617493 0.654229 Se\n0.762919 0.416783 0.576966 Se\n0.262919 0.076966 0.916783 Se\n0.654229 0.920804 0.617493 Se\n0.737081 0.923034 0.083217 Se\n0.045751 0.888332 0.703211 Se\n0.164609 0.504299 0.361062 Se\n0.416783 0.576966 0.762919 Se\n0.154229 0.117493 0.420804 Se\n0.835391 0.495701 0.638938 Se\n0.362508 0.027221 0.189667 Se\n0.796789 0.611668 0.454249 Se\n0.310333 0.472779 0.137492 Se\n0.579196 0.845771 0.882507 Se\n0.810333 0.637492 0.972779 Se\n0.703211 0.045751 0.888332 Se\n0.972779 0.810333 0.637492 Se\n0.083217 0.737081 0.923034 Se\n0.527221 0.862508 0.689667 Se\n0.383417 0.735085 0.534773 Se\n0.335391 0.138938 0.995701 Se\n0.845771 0.882507 0.579196 Se\n0.137492 0.310333 0.472779 Se\n0.264915 0.465227 0.616583 Se\n0.764915 0.116583 0.965227 Se\n0.861062 0.004299 0.664609 Se\n0.454249 0.796789 0.611668 Se\n0.995701 0.335391 0.138938 Se\n0.308094 0.660788 0.480253 Se\n0.882507 0.579196 0.845771 Se\n0.980253 0.160788 0.808094 Se\n",
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            "is_theoretical": true,
            "updated_at": "2021-11-28T01:38:04.414000Z",
            "spacegroup": 167
        }
    ]
}