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{
"id": "mp-1851458",
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{
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"formula_full": "Mg2 Ti4 O10",
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{
"id": "mp-1521407",
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"formula_full": "Na1 Ca1 La1 Se1 O6",
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{
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"structure_string": "Ba28 Sn12 S52\n1.0\n9.036064 0.000000 0.000000\n0.000000 12.470457 0.000000\n0.000000 0.000000 24.414728\nBa Sn S\n28 12 52\ndirect\n0.118257 0.688054 0.532908 Ba\n0.381743 0.188054 0.967092 Ba\n0.881743 0.311946 0.032908 Ba\n0.618257 0.811946 0.467092 Ba\n0.881743 0.311946 0.467092 Ba\n0.618257 0.811946 0.032908 Ba\n0.118257 0.688054 0.967092 Ba\n0.381743 0.188054 0.532908 Ba\n0.603103 0.842773 0.655029 Ba\n0.896897 0.342773 0.844971 Ba\n0.396897 0.157227 0.155029 Ba\n0.103103 0.657227 0.344971 Ba\n0.396897 0.157227 0.344971 Ba\n0.103103 0.657227 0.155029 Ba\n0.603103 0.842773 0.844971 Ba\n0.896897 0.342773 0.655029 Ba\n0.895925 0.644344 0.750000 Ba\n0.604075 0.144344 0.750000 Ba\n0.104075 0.355656 0.250000 Ba\n0.395925 0.855656 0.250000 Ba\n0.409782 0.477777 0.658088 Ba\n0.090218 0.977777 0.841912 Ba\n0.590218 0.522223 0.158088 Ba\n0.909782 0.022223 0.341912 Ba\n0.590218 0.522223 0.341912 Ba\n0.909782 0.022223 0.158088 Ba\n0.409782 0.477777 0.841912 Ba\n0.090218 0.977777 0.658088 Ba\n0.305718 0.757326 0.750000 Sn\n0.194282 0.257326 0.750000 Sn\n0.694282 0.242674 0.250000 Sn\n0.805718 0.742674 0.250000 Sn\n0.699252 0.548585 0.551656 Sn\n0.800748 0.048585 0.948344 Sn\n0.300748 0.451415 0.051656 Sn\n0.199252 0.951415 0.448344 Sn\n0.300748 0.451415 0.448344 Sn\n0.199252 0.951415 0.051656 Sn\n0.699252 0.548585 0.948344 Sn\n0.800748 0.048585 0.551656 Sn\n0.141362 0.448981 0.750000 S\n0.358638 0.948981 0.750000 S\n0.858638 0.551019 0.250000 S\n0.641362 0.051019 0.250000 S\n0.359409 0.637221 0.428381 S\n0.140591 0.137221 0.071619 S\n0.640591 0.362779 0.928381 S\n0.859409 0.862779 0.571619 S\n0.640591 0.362779 0.571619 S\n0.859409 0.862779 0.928381 S\n0.359409 0.637221 0.071619 S\n0.140591 0.137221 0.428381 S\n0.490761 0.663144 0.570762 S\n0.009239 0.163144 0.929238 S\n0.509239 0.336856 0.070762 S\n0.990761 0.836856 0.429238 S\n0.509239 0.336856 0.429238 S\n0.990761 0.836856 0.070762 S\n0.490761 0.663144 0.929238 S\n0.009239 0.163144 0.570762 S\n0.530830 0.652513 0.750000 S\n0.969170 0.152513 0.750000 S\n0.469170 0.347487 0.250000 S\n0.030830 0.847487 0.250000 S\n0.173217 0.720108 0.668528 S\n0.326783 0.220108 0.831472 S\n0.826783 0.279892 0.168528 S\n0.673217 0.779892 0.331472 S\n0.826783 0.279892 0.331472 S\n0.673217 0.779892 0.168528 S\n0.173217 0.720108 0.831472 S\n0.326783 0.220108 0.668528 S\n0.883140 0.589269 0.620438 S\n0.616860 0.089269 0.879562 S\n0.116860 0.410731 0.120438 S\n0.383140 0.910731 0.379562 S\n0.116860 0.410731 0.379562 S\n0.383140 0.910731 0.120438 S\n0.883140 0.589269 0.879562 S\n0.616860 0.089269 0.620438 S\n0.809814 0.577644 0.462965 S\n0.690186 0.077644 0.037035 S\n0.190186 0.422356 0.962965 S\n0.309814 0.922356 0.537035 S\n0.190186 0.422356 0.537035 S\n0.309814 0.922356 0.962965 S\n0.809814 0.577644 0.037035 S\n0.690186 0.077644 0.462965 S\n0.672523 0.394280 0.750000 S\n0.827477 0.894280 0.750000 S\n0.327477 0.605720 0.250000 S\n0.172523 0.105720 0.250000 S\n",
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"formula_full": "Ba28 Sn12 S52",
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{
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"structure_string": "C4 S4 N8\n1.0\n3.812293 0.000000 0.000000\n0.000000 6.652105 0.000000\n-0.642149 0.000000 12.185617\nC S N\n4 4 8\ndirect\n0.877252 0.361096 0.603214 C\n0.122748 0.861096 0.896786 C\n0.122748 0.638904 0.396786 C\n0.877252 0.138904 0.103214 C\n0.970643 0.593368 0.686304 S\n0.029357 0.093368 0.813696 S\n0.029357 0.406632 0.313696 S\n0.970643 0.906632 0.186304 S\n0.677679 0.739113 0.673883 N\n0.322321 0.239113 0.826117 N\n0.322321 0.260887 0.326117 N\n0.677679 0.760887 0.173883 N\n0.824594 0.214725 0.550938 N\n0.175406 0.714725 0.949062 N\n0.175406 0.785275 0.449062 N\n0.824594 0.285275 0.050938 N\n",
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{
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"structure_string": "Cr2 H34 N8 Cl4 O6\n1.0\n6.836277 0.000000 0.000000\n-2.142672 7.635915 0.000000\n-2.904432 -1.304056 9.951312\nCr H N Cl O\n2 34 8 4 6\ndirect\n0.988955 0.992345 0.850391 Cr\n0.011045 0.007655 0.149609 Cr\n0.539721 0.328055 0.592711 H\n0.460279 0.671945 0.407289 H\n0.744554 0.390147 0.548077 H\n0.255446 0.609853 0.451923 H\n0.606080 0.327684 0.158707 H\n0.393920 0.672316 0.841293 H\n0.672250 0.427614 0.306589 H\n0.327750 0.572386 0.693411 H\n0.255964 0.886671 0.734218 H\n0.744036 0.113329 0.265782 H\n0.191239 0.057699 0.663843 H\n0.808761 0.942301 0.336157 H\n0.362861 0.091621 0.814848 H\n0.637139 0.908379 0.185152 H\n0.711714 0.083305 0.642493 H\n0.288286 0.916695 0.357507 H\n0.761592 0.900245 0.592051 H\n0.238408 0.099755 0.407949 H\n0.604098 0.886211 0.687281 H\n0.395902 0.113789 0.312719 H\n0.267827 0.913362 0.040005 H\n0.732173 0.086638 0.959995 H\n0.110505 0.331105 0.279296 H\n0.889495 0.668895 0.720704 H\n0.243375 0.345099 0.169435 H\n0.756625 0.654901 0.830565 H\n0.985956 0.335094 0.119192 H\n0.014044 0.664906 0.880808 H\n0.922696 0.700478 0.242470 H\n0.077304 0.299522 0.757530 H\n0.786611 0.662799 0.081497 H\n0.213389 0.337201 0.918503 H\n0.045830 0.681291 0.129047 H\n0.954170 0.318709 0.870953 H\n0.224097 0.004041 0.752301 N\n0.775903 0.995959 0.247699 N\n0.739188 0.966504 0.671396 N\n0.260812 0.033496 0.328604 N\n0.068789 0.269295 0.851038 N\n0.931211 0.730705 0.148962 N\n0.902288 0.712706 0.817657 N\n0.097712 0.287294 0.182343 N\n0.808908 0.674205 0.452794 Cl\n0.191092 0.325795 0.547206 Cl\n0.651739 0.330051 0.957667 Cl\n0.348261 0.669949 0.042333 Cl\n0.680673 0.310404 0.604131 O\n0.319327 0.689596 0.395869 O\n0.604296 0.310615 0.251733 O\n0.395704 0.689385 0.748267 O\n0.800045 0.990195 0.967695 O\n0.199955 0.009805 0.032305 O\n",
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{
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{
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