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{
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{
"id": "mp-1221844",
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{
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"structure_string": "Li12 Mn4 P8 H4 O32\n1.0\n-2.276739 6.193602 4.668286\n-2.140372 -6.384862 4.573279\n8.016228 -0.126265 4.925001\nLi Mn P H O\n12 4 8 4 32\ndirect\n0.250275 0.750133 0.999923 Li\n0.750253 0.250136 0.999905 Li\n0.500169 0.000034 0.499868 Li\n0.000359 0.500172 0.499861 Li\n0.628835 0.869205 0.123378 Li\n0.128798 0.369120 0.123281 Li\n0.878876 0.119181 0.623270 Li\n0.378769 0.619179 0.623389 Li\n0.121202 0.880587 0.376737 Li\n0.621194 0.380650 0.376653 Li\n0.371141 0.130590 0.876820 Li\n0.871242 0.630567 0.876704 Li\n0.499950 0.500171 0.000003 Mn\n0.749915 0.750111 0.500224 Mn\n0.999947 0.000159 0.999995 Mn\n0.250018 0.250151 0.500029 Mn\n0.355214 0.105732 0.181259 P\n0.855163 0.605696 0.181329 P\n0.605119 0.355661 0.681363 P\n0.105221 0.855705 0.681292 P\n0.394639 0.644341 0.318861 P\n0.894667 0.144328 0.318856 P\n0.644694 0.894344 0.818829 P\n0.144603 0.394388 0.818805 P\n0.124545 0.624753 0.249465 H\n0.624685 0.124835 0.249648 H\n0.374717 0.874849 0.749644 H\n0.874430 0.374713 0.749388 H\n0.342315 0.285210 0.125677 O\n0.842331 0.785163 0.125700 O\n0.592302 0.535139 0.625741 O\n0.092355 0.035179 0.625687 O\n0.407862 0.464869 0.374352 O\n0.907814 0.964858 0.374376 O\n0.657849 0.714876 0.874352 O\n0.157819 0.214916 0.874343 O\n0.544999 0.085471 0.148637 O\n0.044991 0.585434 0.148681 O\n0.794965 0.335428 0.648712 O\n0.295000 0.835479 0.648637 O\n0.205086 0.664533 0.351566 O\n0.705054 0.164496 0.351537 O\n0.455099 0.914519 0.851525 O\n0.955075 0.414521 0.851594 O\n0.237701 0.974127 0.102066 O\n0.737598 0.474099 0.102203 O\n0.487633 0.224066 0.602185 O\n0.987609 0.724053 0.602212 O\n0.512528 0.775987 0.397826 O\n0.012480 0.275996 0.397839 O\n0.762570 0.026033 0.897744 O\n0.262574 0.526067 0.897690 O\n0.433498 0.676169 0.153869 O\n0.933456 0.176045 0.153863 O\n0.683468 0.926107 0.653831 O\n0.183436 0.426100 0.653793 O\n0.316437 0.073869 0.346193 O\n0.816500 0.573920 0.346260 O\n0.566440 0.323869 0.846295 O\n0.066516 0.823914 0.846235 O\n",
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"formula_full": "Li12 Mn4 P8 H4 O32",
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{
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"created_at": "2022-09-04T14:47:59.369243Z",
"structure_string": "Na1 In1 Sn1 W1 O6\n1.0\n0.000000 -4.081406 -4.081406\n4.081406 0.000000 -4.081406\n4.081406 -4.081406 0.000000\nNa In Sn W O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Na\n0.000000 0.000000 -0.000000 In\n0.250000 0.250000 0.250000 Sn\n0.500000 0.500000 0.500000 W\n0.737815 0.262185 0.262185 O\n0.262185 0.737815 0.737815 O\n0.737815 0.262185 0.737815 O\n0.262185 0.737815 0.262185 O\n0.737815 0.737815 0.262185 O\n0.262185 0.262185 0.737815 O\n",
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"formula_full": "Na1 In1 Sn1 W1 O6",
"formula_reduced": "NaInSnWO6",
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{
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"structure_string": "Ca1 Er4 Zr4 O14\n1.0\n2.911646 0.000000 2.066121\n-0.473522 7.795728 13.068017\n-0.473522 0.000000 13.068017\nCa Er Zr O\n1 4 4 14\ndirect\n0.197791 0.500000 0.648156 Ca\n0.949644 0.208051 0.069366 Er\n0.976237 0.000000 0.512329 Er\n0.949644 0.791949 0.485467 Er\n0.113057 0.500000 0.442379 Er\n0.019723 0.000000 0.989419 Zr\n0.030973 0.500000 0.985762 Zr\n0.009657 0.227498 0.517369 Zr\n0.009657 0.772502 0.972365 Zr\n0.268231 0.000000 0.115228 O\n0.203643 0.242098 0.157273 O\n0.236855 0.000000 0.631632 O\n0.336532 0.500000 0.082159 O\n0.229609 0.229293 0.655478 O\n0.229609 0.770707 0.114065 O\n0.703871 0.258476 0.389770 O\n0.770603 0.000000 0.864489 O\n0.824465 0.500000 0.337274 O\n0.740986 0.311779 0.815815 O\n0.740986 0.688221 0.439373 O\n0.203643 0.757902 0.641468 O\n0.818571 0.500000 0.841225 O\n0.703871 0.741524 0.906722 O\n",
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{
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"structure_string": "Ca8 B4 N8 F4\n1.0\n3.678433 0.000000 0.000000\n0.000000 9.241387 0.000000\n0.000000 0.000000 10.029988\nCa B N F\n8 4 8 4\ndirect\n0.250000 0.676496 0.025590 Ca\n0.750000 0.823504 0.525590 Ca\n0.250000 0.176496 0.474410 Ca\n0.750000 0.323504 0.974410 Ca\n0.250000 0.527124 0.656271 Ca\n0.750000 0.472876 0.343729 Ca\n0.250000 0.027124 0.843729 Ca\n0.750000 0.972876 0.156271 Ca\n0.250000 0.735311 0.323499 B\n0.750000 0.264689 0.676501 B\n0.250000 0.235311 0.176501 B\n0.750000 0.764689 0.823499 B\n0.250000 0.653550 0.435634 N\n0.750000 0.346450 0.564366 N\n0.250000 0.153550 0.064366 N\n0.750000 0.179179 0.783347 N\n0.250000 0.320821 0.283347 N\n0.750000 0.679179 0.716653 N\n0.250000 0.820821 0.216653 N\n0.750000 0.846450 0.935634 N\n0.750000 0.540690 0.105516 F\n0.750000 0.040690 0.394484 F\n0.250000 0.459310 0.894484 F\n0.250000 0.959310 0.605516 F\n",
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{
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"structure_string": "Mg1 S8 O20 F8\n1.0\n8.228063 -0.168766 0.000000\n-0.174978 7.698944 0.000000\n0.000000 0.000000 9.943530\nMg S O F\n1 8 20 8\ndirect\n0.500000 0.500000 0.411416 Mg\n0.592996 0.168540 0.639959 S\n0.407004 0.831460 0.639959 S\n0.332331 0.929722 0.129678 S\n0.803978 0.593327 0.351705 S\n0.196022 0.406673 0.351705 S\n0.927531 0.669309 0.865786 S\n0.072469 0.330691 0.865786 S\n0.667669 0.070278 0.129678 S\n0.499803 0.777348 0.527140 O\n0.360578 0.721860 0.748456 O\n0.221306 0.895288 0.235984 O\n0.651867 0.636281 0.274832 O\n0.348133 0.363719 0.274832 O\n0.894336 0.786442 0.760453 O\n0.105664 0.213558 0.760453 O\n0.778694 0.104712 0.235984 O\n0.500000 0.000000 0.206491 O\n0.000000 0.500000 0.787626 O\n0.000000 0.500000 0.309142 O\n0.500000 0.000000 0.711734 O\n0.696653 0.967917 0.014157 O\n0.500197 0.222652 0.527140 O\n0.020869 0.709780 0.982351 O\n0.260677 0.509557 0.470449 O\n0.739323 0.490443 0.470449 O\n0.303347 0.032083 0.014157 O\n0.979131 0.290220 0.982351 O\n0.639422 0.278140 0.748456 O\n0.605387 0.249641 0.078744 F\n0.239600 0.417683 0.913145 F\n0.760400 0.582317 0.913145 F\n0.139354 0.220099 0.420862 F\n0.860646 0.779901 0.420862 F\n0.394613 0.750359 0.078744 F\n0.255222 0.922001 0.584900 F\n0.744778 0.077999 0.584900 F\n",
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{
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"structure_string": "Mg1 Au4 Se4 Cl4 O12\n1.0\n4.796746 -0.273898 0.177420\n-0.169158 9.959372 1.361786\n0.219278 -0.403266 11.391322\nMg Au Se Cl O\n1 4 4 4 12\ndirect\n0.837625 0.267574 0.303645 Mg\n0.057464 0.549827 0.201931 Au\n0.020535 0.989729 0.995196 Au\n0.024732 0.414228 0.811759 Au\n0.990674 0.035879 0.500234 Au\n0.782384 0.895019 0.270542 Se\n0.241380 0.694038 0.925311 Se\n0.658094 0.225653 0.033951 Se\n0.291019 0.136189 0.734021 Se\n0.388946 0.483630 0.676601 Cl\n0.799633 0.482830 0.376777 Cl\n0.265475 0.236181 0.441794 Cl\n0.703149 0.844405 0.548530 Cl\n0.708652 0.954672 0.124750 O\n0.673988 0.357470 0.922229 O\n0.104795 0.852241 0.261225 O\n0.017661 0.184339 0.027325 O\n0.650567 0.302254 0.159374 O\n0.974776 0.792721 0.973361 O\n0.313625 0.600520 0.051387 O\n0.995119 0.222776 0.760507 O\n0.837307 0.065163 0.337119 O\n0.980811 0.599906 0.857476 O\n0.335166 0.038002 0.866000 O\n0.124202 0.006004 0.666334 O\n",
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{
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"structure_string": "Ba1 Ca1 I4\n1.0\n5.700463 0.000000 0.000000\n0.000000 5.700463 0.000000\n0.000000 0.000000 8.168454\nBa Ca I\n1 1 4\ndirect\n0.500000 0.500000 0.000000 Ba\n0.000000 0.000000 0.500000 Ca\n0.000000 0.500000 0.264638 I\n0.500000 0.000000 0.264638 I\n0.000000 0.500000 0.735362 I\n0.500000 0.000000 0.735362 I\n",
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{
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{
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"structure_string": "Ca4 Al8 Si8 H16 O40\n1.0\n5.948900 0.000000 0.000000\n0.000000 8.844003 0.000000\n0.000000 0.000000 13.175517\nCa Al Si H O\n4 8 8 16 40\ndirect\n0.234125 0.582754 0.751943 Ca\n0.734125 0.417246 0.248057 Ca\n0.234125 0.917246 0.251943 Ca\n0.734125 0.082754 0.748057 Ca\n0.497417 0.000528 0.499080 Al\n0.003906 0.996328 0.998062 Al\n0.503906 0.003672 0.001938 Al\n0.003906 0.503672 0.498062 Al\n0.503906 0.496328 0.501938 Al\n0.997417 0.999472 0.500920 Al\n0.997417 0.500528 0.000920 Al\n0.497417 0.499472 0.999080 Al\n0.251083 0.225753 0.865681 Si\n0.247524 0.271474 0.131310 Si\n0.747524 0.728526 0.868690 Si\n0.747524 0.771474 0.368690 Si\n0.247524 0.228526 0.631310 Si\n0.751083 0.725753 0.634319 Si\n0.751083 0.774247 0.134319 Si\n0.251083 0.274247 0.365681 Si\n0.275689 0.833915 0.894201 H\n0.775689 0.166085 0.105799 H\n0.275689 0.666085 0.394201 H\n0.775689 0.333915 0.605799 H\n0.249516 0.781496 0.523540 H\n0.749516 0.218504 0.476460 H\n0.249516 0.718504 0.023540 H\n0.749516 0.281496 0.976460 H\n0.178377 0.944499 0.776603 H\n0.678377 0.055501 0.223397 H\n0.178377 0.555501 0.276603 H\n0.678377 0.444499 0.723397 H\n0.255958 0.877219 0.669583 H\n0.755958 0.122781 0.330417 H\n0.255958 0.622781 0.169583 H\n0.755958 0.377219 0.830417 H\n0.532234 0.613050 0.625629 O\n0.761109 0.139843 0.253802 O\n0.260085 0.879109 0.961336 O\n0.761109 0.360157 0.753802 O\n0.756628 0.799117 0.751251 O\n0.256628 0.200883 0.248749 O\n0.756628 0.700883 0.251251 O\n0.256628 0.299117 0.748749 O\n0.032234 0.113050 0.874371 O\n0.532234 0.886950 0.125629 O\n0.032234 0.386950 0.374371 O\n0.261109 0.860157 0.746198 O\n0.020236 0.126508 0.618201 O\n0.520236 0.873492 0.381799 O\n0.020236 0.373492 0.118201 O\n0.520236 0.626508 0.881799 O\n0.475113 0.371094 0.114307 O\n0.975113 0.628906 0.885693 O\n0.475113 0.128906 0.614307 O\n0.975113 0.871094 0.385693 O\n0.478000 0.374514 0.383124 O\n0.978000 0.625486 0.616876 O\n0.478000 0.125486 0.883124 O\n0.978000 0.874514 0.116876 O\n0.747667 0.886185 0.937391 O\n0.247667 0.113815 0.062609 O\n0.747667 0.613815 0.437391 O\n0.247667 0.386185 0.562609 O\n0.743305 0.883424 0.565678 O\n0.243305 0.116576 0.434322 O\n0.743305 0.616576 0.065678 O\n0.243305 0.383424 0.934322 O\n0.749428 0.388050 0.950140 O\n0.249428 0.611950 0.049860 O\n0.749428 0.111950 0.450140 O\n0.249428 0.888050 0.549860 O\n0.760085 0.379109 0.538664 O\n0.260085 0.620891 0.461336 O\n0.760085 0.120891 0.038664 O\n0.261109 0.639843 0.246198 O\n",
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{
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{
"id": "mp-554041",
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"structure_string": "Na4 Al4 B4 O14\n1.0\n2.436285 -4.219770 0.000000\n2.436285 4.219770 0.000000\n0.000000 0.000000 15.594509\nNa Al B O\n4 4 4 14\ndirect\n0.000000 0.000000 0.250000 Na\n0.000000 0.000000 0.500000 Na\n0.000000 0.000000 0.000000 Na\n0.000000 0.000000 0.750000 Na\n0.333333 0.666667 0.638803 Al\n0.666667 0.333333 0.138803 Al\n0.333333 0.666667 0.861197 Al\n0.666667 0.333333 0.361197 Al\n0.666667 0.333333 0.895881 B\n0.333333 0.666667 0.395881 B\n0.333333 0.666667 0.104119 B\n0.666667 0.333333 0.604119 B\n0.960701 0.605585 0.895930 O\n0.394415 0.039299 0.604070 O\n0.960701 0.355116 0.604070 O\n0.355116 0.394415 0.395930 O\n0.039299 0.644884 0.395930 O\n0.644884 0.039299 0.895930 O\n0.605585 0.644884 0.104070 O\n0.039299 0.394415 0.104070 O\n0.355116 0.960701 0.104070 O\n0.644884 0.605585 0.604070 O\n0.394415 0.355116 0.895930 O\n0.605585 0.960701 0.395930 O\n0.666667 0.333333 0.250000 O\n0.333333 0.666667 0.750000 O\n",
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]
}