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{
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{
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{
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"structure_string": "Na2 Li2 Al8 Si4 O24\n1.0\n4.532659 2.648465 0.000000\n-4.532659 2.648465 0.000000\n0.000000 1.752556 19.291745\nNa Li Al Si O\n2 2 8 4 24\ndirect\n0.087458 0.910163 0.250694 Na\n0.910163 0.087458 0.750694 Na\n0.499972 0.006809 0.001836 Li\n0.006809 0.499972 0.501836 Li\n0.624327 0.806879 0.500989 Al\n0.806879 0.624327 0.000989 Al\n0.374912 0.183410 0.500756 Al\n0.183410 0.374912 0.000756 Al\n0.287961 0.793828 0.645535 Al\n0.793828 0.287961 0.145535 Al\n0.385717 0.536966 0.356202 Al\n0.536966 0.385717 0.856202 Al\n0.611616 0.452696 0.646106 Si\n0.452696 0.611616 0.146106 Si\n0.708827 0.198613 0.356052 Si\n0.198613 0.708827 0.856052 Si\n0.553857 0.709019 0.673574 O\n0.709019 0.553857 0.173574 O\n0.460299 0.267100 0.327277 O\n0.267100 0.460299 0.827277 O\n0.609652 0.470777 0.558144 O\n0.470777 0.609652 0.058144 O\n0.669048 0.894060 0.328159 O\n0.894060 0.669048 0.828159 O\n0.986096 0.064758 0.535182 O\n0.064758 0.986096 0.035182 O\n0.037605 0.475552 0.336606 O\n0.475552 0.037605 0.836606 O\n0.357376 0.854291 0.552882 O\n0.854291 0.357376 0.052882 O\n0.391411 0.512822 0.449183 O\n0.512822 0.391411 0.949183 O\n0.008808 0.922106 0.466934 O\n0.922106 0.008808 0.966934 O\n0.346058 0.128136 0.674903 O\n0.128136 0.346058 0.174903 O\n0.648043 0.147317 0.443867 O\n0.147317 0.648043 0.943867 O\n0.929546 0.498507 0.665418 O\n0.498507 0.929546 0.165418 O\n",
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{
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"structure_string": "Fe20 Ni16 P12\n1.0\n4.391703 0.000000 0.000000\n2.174482 6.329783 0.000000\n2.113277 0.025055 18.972033\nFe Ni P\n20 16 12\ndirect\n0.315061 0.815989 0.010645 Fe\n0.648258 0.815437 0.344175 Fe\n0.980962 0.815466 0.677390 Fe\n0.477253 0.185514 0.323292 Fe\n0.810719 0.185238 0.656494 Fe\n0.142003 0.184405 0.988837 Fe\n0.723941 0.028718 0.061329 Fe\n0.055427 0.031768 0.395238 Fe\n0.388663 0.032108 0.728580 Fe\n0.149229 0.971416 0.271875 Fe\n0.481742 0.972136 0.605251 Fe\n0.814046 0.972387 0.938445 Fe\n0.063420 0.394575 0.443462 Fe\n0.397319 0.394306 0.776804 Fe\n0.121560 0.671023 0.132402 Fe\n0.454211 0.670057 0.465189 Fe\n0.787009 0.670071 0.798569 Fe\n0.257596 0.328890 0.201016 Fe\n0.589029 0.328555 0.534654 Fe\n0.923399 0.328498 0.867941 Fe\n0.933369 0.612073 0.016935 Ni\n0.266748 0.611537 0.349374 Ni\n0.599820 0.611749 0.682649 Ni\n0.898030 0.389218 0.316312 Ni\n0.230506 0.389073 0.649785 Ni\n0.562523 0.387187 0.983063 Ni\n0.162228 0.051588 0.129366 Ni\n0.497196 0.047730 0.463101 Ni\n0.830824 0.047858 0.796373 Ni\n0.675326 0.948326 0.203969 Ni\n0.007989 0.948214 0.537361 Ni\n0.341671 0.948280 0.870848 Ni\n0.564613 0.603984 0.222981 Ni\n0.895030 0.604589 0.556810 Ni\n0.227865 0.605140 0.890204 Ni\n0.725695 0.395561 0.110511 Ni\n0.026821 0.659227 0.252470 P\n0.358907 0.659857 0.585635 P\n0.693411 0.658370 0.919385 P\n0.271668 0.342277 0.080590 P\n0.606930 0.343160 0.414729 P\n0.940062 0.343074 0.747972 P\n0.581072 0.758312 0.113140 P\n0.916622 0.755532 0.446239 P\n0.249779 0.755457 0.779614 P\n0.785229 0.241410 0.220262 P\n0.117551 0.242111 0.552773 P\n0.451665 0.242553 0.885960 P\n",
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"formula_full": "Fe20 Ni16 P12",
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{
"id": "mp-1368630",
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"structure_string": "V4 Zn6 O14\n1.0\n5.162565 0.000200 0.000416\n0.000086 5.040925 -1.359679\n0.000772 -0.105076 9.634453\nV Zn O\n4 6 14\ndirect\n0.253267 0.644515 0.795344 V\n0.753268 0.150820 0.795346 V\n0.753286 0.355486 0.204689 V\n0.253286 0.849212 0.204674 V\n0.723361 0.743144 0.000035 Zn\n0.223363 0.256883 0.000029 Zn\n0.790839 0.574775 0.598562 Zn\n0.290814 0.425244 0.401398 Zn\n0.790818 0.976172 0.401405 Zn\n0.290842 0.023770 0.598558 Zn\n0.828950 0.364049 0.000040 O\n0.328939 0.635985 0.000038 O\n0.678454 0.941623 0.593641 O\n0.178433 0.058324 0.406301 O\n0.178438 0.652039 0.593642 O\n0.678411 0.347966 0.406314 O\n0.066543 0.289755 0.742572 O\n0.566713 0.710067 0.257415 O\n0.566560 0.452851 0.742592 O\n0.066720 0.547326 0.257405 O\n0.944751 0.843699 0.845687 O\n0.444573 0.156112 0.154312 O\n0.944588 0.998214 0.154312 O\n0.444786 0.001969 0.845691 O\n",
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"formula_full": "V4 Zn6 O14",
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{
"id": "mp-762521",
"created_at": "2022-09-04T14:46:23.887116Z",
"structure_string": "Li2 Mn6 Al4 H12 O24\n1.0\n5.954056 0.000000 0.000000\n-1.633083 7.734225 0.000000\n-2.855419 -3.433738 9.505563\nLi Mn Al H O\n2 6 4 12 24\ndirect\n0.758134 0.010978 0.499170 Li\n0.075300 0.322489 0.500858 Li\n0.995440 0.997758 0.996131 Mn\n0.495893 0.998825 0.997543 Mn\n0.334362 0.335753 0.002651 Mn\n0.167559 0.667034 0.000820 Mn\n0.838206 0.336195 0.004821 Mn\n0.665632 0.664159 0.996718 Mn\n0.246778 0.004723 0.497269 Al\n0.586322 0.328366 0.502342 Al\n0.917240 0.666642 0.500066 Al\n0.416385 0.666797 0.500293 Al\n0.388883 0.025378 0.289913 H\n0.910946 0.324925 0.709860 H\n0.921144 0.008906 0.289790 H\n0.771476 0.650127 0.713168 H\n0.446944 0.305359 0.710177 H\n0.720766 0.362676 0.295494 H\n0.261236 0.660300 0.704757 H\n0.568446 0.675184 0.295762 H\n0.256147 0.361222 0.300561 H\n0.113729 0.970740 0.704718 H\n0.067177 0.678246 0.286611 H\n0.576176 0.975439 0.699661 H\n0.217121 0.068834 0.899512 O\n0.448209 0.074962 0.393911 O\n0.853261 0.285889 0.607181 O\n0.051443 0.398936 0.900648 O\n0.702114 0.074709 0.894629 O\n0.979664 0.047177 0.392423 O\n0.122612 0.280831 0.106260 O\n0.703343 0.609894 0.607861 O\n0.552386 0.393920 0.900389 O\n0.384741 0.258886 0.606299 O\n0.617216 0.269252 0.104967 O\n0.784003 0.410059 0.399442 O\n0.202911 0.617109 0.600398 O\n0.358216 0.740720 0.890182 O\n0.449802 0.601758 0.101493 O\n0.323331 0.409941 0.404547 O\n0.630551 0.715832 0.399641 O\n0.049485 0.923519 0.600864 O\n0.882618 0.712850 0.892695 O\n0.294279 0.927258 0.104278 O\n0.974124 0.596185 0.111144 O\n0.130268 0.724287 0.392568 O\n0.510457 0.923499 0.595710 O\n0.777722 0.935672 0.094406 O\n",
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{
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"structure_string": "Rb2 Pr1 Ag1 Br6\n1.0\n0.000000 5.767839 5.767839\n5.767839 0.000000 5.767839\n5.767839 5.767839 0.000000\nRb Pr Ag Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Pr\n0.000000 0.000000 0.000000 Ag\n0.751368 0.248632 0.248632 Br\n0.248632 0.248632 0.751368 Br\n0.248632 0.751368 0.751368 Br\n0.248632 0.751368 0.248632 Br\n0.751368 0.248632 0.751368 Br\n0.751368 0.751368 0.248632 Br\n",
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{
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{
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"structure_string": "Ba2 Tl1 Cu3 O7\n1.0\n3.858913 0.000000 0.000000\n0.000000 3.944144 0.000000\n0.000000 0.000000 11.885370\nBa Tl Cu O\n2 1 3 7\ndirect\n0.500000 0.500000 0.181817 Ba\n0.500000 0.500000 0.818183 Ba\n0.500000 0.500000 0.500000 Tl\n0.000000 0.000000 0.353934 Cu\n0.000000 0.000000 0.646066 Cu\n0.000000 0.000000 0.000000 Cu\n0.000000 0.500000 0.000000 O\n0.000000 0.500000 0.375386 O\n0.000000 0.500000 0.624614 O\n0.500000 0.000000 0.376194 O\n0.500000 0.000000 0.623806 O\n0.000000 0.000000 0.157343 O\n0.000000 0.000000 0.842657 O\n",
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