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{
"id": "mp-759958",
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"structure_string": "As6 H18 C6 S18 F36\n1.0\n8.212893 0.000000 0.000000\n-2.874464 11.470055 0.000000\n-2.438719 -5.441548 13.977532\nAs H C S F\n6 18 6 18 36\ndirect\n0.000000 0.500000 0.000000 As\n0.352057 0.809717 0.690386 As\n0.000000 0.000000 0.000000 As\n0.340840 0.292397 0.647504 As\n0.659160 0.707603 0.352496 As\n0.647943 0.190283 0.309614 As\n0.997879 0.530768 0.260175 H\n0.141109 0.832675 0.169458 H\n0.333194 0.788044 0.903873 H\n0.352409 0.850761 0.432908 H\n0.066226 0.068873 0.400527 H\n0.259291 0.504448 0.499232 H\n0.254866 0.281367 0.240024 H\n0.375898 0.142708 0.834533 H\n0.615624 0.563120 0.939299 H\n0.384376 0.436880 0.060701 H\n0.624102 0.857292 0.165467 H\n0.745134 0.718633 0.759976 H\n0.740709 0.495552 0.500768 H\n0.933774 0.931127 0.599473 H\n0.647591 0.149239 0.567092 H\n0.666806 0.211956 0.096127 H\n0.858891 0.167325 0.830542 H\n0.002121 0.469232 0.739825 H\n0.185258 0.917017 0.333411 C\n0.163626 0.436327 0.333095 C\n0.477722 0.264995 0.996603 C\n0.522278 0.735005 0.003397 C\n0.836374 0.563673 0.666905 C\n0.814742 0.082983 0.666589 C\n0.061882 0.548371 0.353197 S\n0.259297 0.932123 0.449058 S\n0.408124 0.836577 0.999674 S\n0.230215 0.811706 0.243095 S\n0.146209 0.344792 0.218812 S\n0.061475 0.005231 0.308542 S\n0.344015 0.244708 0.890902 S\n0.274033 0.410180 0.425777 S\n0.498392 0.610965 0.902666 S\n0.501608 0.389035 0.097334 S\n0.725967 0.589820 0.574223 S\n0.655985 0.755292 0.109098 S\n0.938525 0.994769 0.691458 S\n0.853791 0.655208 0.781188 S\n0.769785 0.188294 0.756905 S\n0.591876 0.163423 0.000326 S\n0.740703 0.067877 0.550942 S\n0.938118 0.451629 0.646803 S\n0.134115 0.945924 0.927064 F\n0.063896 0.509997 0.895245 F\n0.042968 0.355570 0.978515 F\n0.144352 0.829520 0.666318 F\n0.077106 0.933830 0.082316 F\n0.281976 0.722442 0.762222 F\n0.425187 0.949391 0.792945 F\n0.275624 0.669121 0.587961 F\n0.187166 0.312207 0.716631 F\n0.423408 0.895724 0.619299 F\n0.166273 0.204419 0.543198 F\n0.218274 0.580434 0.068908 F\n0.341085 0.432032 0.627183 F\n0.558523 0.787288 0.713853 F\n0.340870 0.152866 0.668383 F\n0.171391 0.142121 0.063922 F\n0.507240 0.728891 0.422674 F\n0.514238 0.380573 0.751344 F\n0.485762 0.619427 0.248656 F\n0.492760 0.271109 0.577326 F\n0.828609 0.857879 0.936078 F\n0.659130 0.847134 0.331617 F\n0.441477 0.212712 0.286147 F\n0.658915 0.567968 0.372817 F\n0.781726 0.419566 0.931092 F\n0.833727 0.795581 0.456802 F\n0.576592 0.104276 0.380701 F\n0.812834 0.687793 0.283369 F\n0.724376 0.330879 0.412039 F\n0.574813 0.050609 0.207055 F\n0.718024 0.277558 0.237778 F\n0.922894 0.066170 0.917684 F\n0.855648 0.170480 0.333682 F\n0.957032 0.644430 0.021485 F\n0.936104 0.490003 0.104755 F\n0.865885 0.054076 0.072936 F\n",
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"formula_full": "As6 H18 C6 S18 F36",
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},
{
"id": "mp-764931",
"created_at": "2022-09-04T14:39:23.387276Z",
"structure_string": "Li12 Mn4 Fe4 Co4 P12 O48\n1.0\n10.417476 0.000000 0.021592\n0.000000 6.100445 0.000000\n0.029809 0.000000 14.315625\nLi Mn Fe Co P O\n12 4 4 4 12 48\ndirect\n0.996023 0.499501 0.667157 Li\n0.999522 0.000838 0.999121 Li\n0.999522 0.499162 0.999121 Li\n0.997078 0.998697 0.333818 Li\n0.997078 0.501303 0.333818 Li\n0.996023 0.000499 0.667157 Li\n0.503066 0.999812 0.500472 Li\n0.503066 0.500188 0.500472 Li\n0.501458 0.999894 0.165454 Li\n0.501458 0.500106 0.165454 Li\n0.503192 0.999712 0.833705 Li\n0.503192 0.500288 0.833705 Li\n0.218474 0.750000 0.159275 Mn\n0.219209 0.750000 0.494028 Mn\n0.281903 0.250000 0.660648 Mn\n0.281327 0.250000 0.326384 Mn\n0.217330 0.750000 0.826655 Fe\n0.282735 0.250000 0.990681 Fe\n0.718887 0.750000 0.008449 Fe\n0.719327 0.750000 0.342027 Fe\n0.722770 0.750000 0.671274 Co\n0.780861 0.250000 0.839427 Co\n0.776997 0.250000 0.504828 Co\n0.780975 0.250000 0.172335 Co\n0.093072 0.250000 0.807463 P\n0.092829 0.250000 0.137747 P\n0.090025 0.250000 0.472912 P\n0.409126 0.750000 0.305392 P\n0.408757 0.750000 0.640079 P\n0.405456 0.750000 0.971712 P\n0.598101 0.250000 0.360539 P\n0.595490 0.250000 0.026772 P\n0.599248 0.250000 0.694797 P\n0.901936 0.750000 0.860321 P\n0.902350 0.750000 0.194460 P\n0.901785 0.750000 0.528155 P\n0.040511 0.750000 0.235789 O\n0.039940 0.750000 0.569283 O\n0.040821 0.750000 0.900723 O\n0.095563 0.250000 0.580319 O\n0.097524 0.250000 0.914632 O\n0.097168 0.250000 0.245319 O\n0.163461 0.048497 0.092453 O\n0.163461 0.451503 0.092453 O\n0.160224 0.048014 0.427489 O\n0.160224 0.451986 0.427489 O\n0.163956 0.046977 0.762868 O\n0.163956 0.453023 0.762868 O\n0.339706 0.547947 0.594155 O\n0.339706 0.952053 0.594155 O\n0.339156 0.547623 0.260862 O\n0.339156 0.952377 0.260862 O\n0.334288 0.547204 0.927731 O\n0.334288 0.952796 0.927731 O\n0.404531 0.750000 0.412992 O\n0.402813 0.750000 0.079135 O\n0.401821 0.750000 0.747376 O\n0.460378 0.250000 0.403030 O\n0.456500 0.250000 0.067207 O\n0.460285 0.250000 0.735260 O\n0.547556 0.750000 0.264318 O\n0.543664 0.750000 0.930319 O\n0.548885 0.750000 0.600241 O\n0.600768 0.250000 0.253121 O\n0.600033 0.250000 0.919372 O\n0.602376 0.250000 0.586512 O\n0.665864 0.047670 0.072042 O\n0.669139 0.047735 0.405598 O\n0.668300 0.046803 0.739973 O\n0.668300 0.453197 0.739973 O\n0.665864 0.452330 0.072042 O\n0.669139 0.452265 0.405598 O\n0.832263 0.545442 0.904725 O\n0.832263 0.954558 0.904725 O\n0.832511 0.545272 0.238926 O\n0.831288 0.546742 0.573428 O\n0.832511 0.954728 0.238926 O\n0.831288 0.953258 0.573428 O\n0.899225 0.750000 0.752371 O\n0.901126 0.750000 0.420617 O\n0.900279 0.750000 0.086865 O\n0.954486 0.250000 0.767170 O\n0.953286 0.250000 0.098441 O\n0.950500 0.250000 0.433279 O\n",
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"elements": [
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"formula_full": "Li12 Mn4 Fe4 Co4 P12 O48",
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},
{
"id": "mp-1194787",
"created_at": "2022-09-04T14:39:15.574790Z",
"structure_string": "Cd8 B24 Pb4 O48\n1.0\n7.086544 0.000000 0.000000\n0.000000 6.647706 0.000000\n0.000000 6.577726 19.491247\nCd B Pb O\n8 24 4 48\ndirect\n0.268547 0.546730 0.525969 Cd\n0.231453 0.546730 0.025969 Cd\n0.731453 0.453270 0.474031 Cd\n0.768547 0.453270 0.974031 Cd\n0.247246 0.047053 0.735659 Cd\n0.252754 0.047053 0.235659 Cd\n0.752754 0.952947 0.264341 Cd\n0.747246 0.952947 0.764341 Cd\n0.937250 0.262903 0.626131 B\n0.562750 0.262903 0.126131 B\n0.062750 0.737097 0.373869 B\n0.437250 0.737097 0.873869 B\n0.309570 0.116183 0.535113 B\n0.190430 0.116183 0.035113 B\n0.690430 0.883817 0.464887 B\n0.809570 0.883817 0.964887 B\n0.431376 0.783599 0.622715 B\n0.068624 0.783599 0.122715 B\n0.568624 0.216401 0.377285 B\n0.931376 0.216401 0.877285 B\n0.592998 0.138901 0.608809 B\n0.907002 0.138901 0.108809 B\n0.407002 0.861099 0.391191 B\n0.092998 0.861099 0.891191 B\n0.529793 0.405004 0.676839 B\n0.970207 0.405004 0.176839 B\n0.470207 0.594996 0.323161 B\n0.029793 0.594996 0.823161 B\n0.307760 0.565117 0.741044 B\n0.192240 0.565117 0.241044 B\n0.692240 0.434883 0.258956 B\n0.807760 0.434883 0.758956 B\n0.925758 0.771481 0.611703 Pb\n0.574242 0.771481 0.111703 Pb\n0.074242 0.228519 0.388297 Pb\n0.425758 0.228519 0.888297 Pb\n0.600956 0.909250 0.624114 O\n0.899044 0.909250 0.124114 O\n0.399044 0.090750 0.375886 O\n0.100956 0.090750 0.875886 O\n0.471438 0.576149 0.615871 O\n0.028562 0.576149 0.115871 O\n0.528562 0.423851 0.384129 O\n0.971438 0.423851 0.884129 O\n0.528832 0.190938 0.669999 O\n0.971168 0.190938 0.169999 O\n0.471168 0.809062 0.330001 O\n0.028832 0.809062 0.830001 O\n0.396367 0.385898 0.735293 O\n0.103633 0.385898 0.235293 O\n0.603633 0.614102 0.264707 O\n0.896367 0.614102 0.764707 O\n0.220629 0.539112 0.803051 O\n0.279371 0.539112 0.303051 O\n0.779371 0.460888 0.196949 O\n0.720629 0.460888 0.696949 O\n0.052549 0.435536 0.607335 O\n0.447451 0.435536 0.107335 O\n0.947451 0.564464 0.392665 O\n0.552549 0.564464 0.892665 O\n0.305259 0.896566 0.564708 O\n0.194741 0.896566 0.064708 O\n0.694741 0.103434 0.435292 O\n0.805259 0.103434 0.935292 O\n0.779967 0.244596 0.584683 O\n0.720033 0.244596 0.084683 O\n0.220033 0.755404 0.415317 O\n0.279967 0.755404 0.915317 O\n0.461829 0.232396 0.550034 O\n0.038171 0.232396 0.050034 O\n0.538171 0.767604 0.449966 O\n0.961829 0.767604 0.949966 O\n0.317741 0.756072 0.689417 O\n0.182259 0.756072 0.189417 O\n0.682259 0.243928 0.310583 O\n0.817741 0.243928 0.810583 O\n0.168109 0.229928 0.496871 O\n0.331891 0.229928 0.996871 O\n0.831891 0.770072 0.503129 O\n0.668109 0.770072 0.003129 O\n0.970213 0.092973 0.684779 O\n0.529787 0.092973 0.184779 O\n0.029787 0.907027 0.315221 O\n0.470213 0.907027 0.815221 O\n",
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"formula_full": "Cd8 B24 Pb4 O48",
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{
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"structure_string": "Cs44 Rb28 O12\n1.0\n9.115311 0.000000 0.000000\n0.000000 22.158741 0.000000\n0.000000 0.000000 32.593724\nCs Rb O\n44 28 12\ndirect\n0.537475 0.755840 0.333067 Cs\n0.460725 0.552199 0.662236 Cs\n0.019657 0.455189 0.770857 Cs\n0.983812 0.758493 0.332668 Cs\n0.516188 0.241507 0.832668 Cs\n0.462525 0.255840 0.166933 Cs\n0.521792 0.962798 0.952277 Cs\n0.021792 0.537202 0.047723 Cs\n0.252956 0.631329 0.576430 Cs\n0.248874 0.596875 0.158405 Cs\n0.539275 0.052199 0.837764 Cs\n0.747044 0.131329 0.923570 Cs\n0.531724 0.952767 0.728479 Cs\n0.245907 0.375978 0.252311 Cs\n0.544550 0.946317 0.337439 Cs\n0.247044 0.368671 0.076430 Cs\n0.037475 0.744160 0.666933 Cs\n0.960725 0.947801 0.337764 Cs\n0.039275 0.447801 0.162236 Cs\n0.044550 0.553683 0.662561 Cs\n0.745907 0.124022 0.747689 Cs\n0.027660 0.461606 0.549389 Cs\n0.978208 0.037202 0.452277 Cs\n0.468276 0.452767 0.771521 Cs\n0.527660 0.038394 0.450611 Cs\n0.751126 0.096875 0.341595 Cs\n0.748874 0.903125 0.841595 Cs\n0.955450 0.053683 0.837439 Cs\n0.480343 0.544811 0.270857 Cs\n0.752956 0.868671 0.423570 Cs\n0.455450 0.446317 0.162561 Cs\n0.519657 0.044811 0.229143 Cs\n0.472340 0.538394 0.049389 Cs\n0.980343 0.955189 0.729143 Cs\n0.478208 0.462798 0.547723 Cs\n0.251126 0.403125 0.658405 Cs\n0.254093 0.624022 0.752311 Cs\n0.016188 0.258493 0.167332 Cs\n0.972340 0.961606 0.950611 Cs\n0.754093 0.875978 0.247689 Cs\n0.968276 0.047233 0.228479 Cs\n0.031724 0.547233 0.271521 Cs\n0.962525 0.244160 0.833067 Cs\n0.483812 0.741507 0.667332 Cs\n0.749021 0.885984 0.090495 Rb\n0.247762 0.009717 0.092919 Rb\n0.750266 0.679868 0.508670 Rb\n0.755392 0.889775 0.575952 Rb\n0.749734 0.320132 0.008670 Rb\n0.744608 0.110225 0.075952 Rb\n0.247310 0.191665 0.347127 Rb\n0.755793 0.677540 0.813205 Rb\n0.748867 0.277269 0.466124 Rb\n0.752690 0.691665 0.152873 Rb\n0.248867 0.222731 0.533876 Rb\n0.249021 0.614016 0.909505 Rb\n0.744207 0.322460 0.313205 Rb\n0.249734 0.179868 0.991330 Rb\n0.255392 0.610225 0.424048 Rb\n0.250979 0.385984 0.409505 Rb\n0.751133 0.722731 0.966124 Rb\n0.752238 0.509717 0.407081 Rb\n0.252238 0.990283 0.592919 Rb\n0.244207 0.177540 0.686795 Rb\n0.250266 0.820132 0.491330 Rb\n0.252690 0.808335 0.847127 Rb\n0.255793 0.822460 0.186795 Rb\n0.750979 0.114016 0.590495 Rb\n0.244608 0.389775 0.924048 Rb\n0.747310 0.308335 0.652873 Rb\n0.251133 0.777269 0.033876 Rb\n0.747762 0.490283 0.907081 Rb\n0.246754 0.496956 0.722674 O\n0.745756 0.003447 0.901491 O\n0.257402 0.659122 0.665691 O\n0.754244 0.996553 0.401491 O\n0.742598 0.159122 0.834309 O\n0.242598 0.340878 0.165691 O\n0.757402 0.840878 0.334309 O\n0.253246 0.503044 0.222674 O\n0.746754 0.003044 0.277326 O\n0.753246 0.996956 0.777326 O\n0.254244 0.503447 0.598509 O\n0.245756 0.496553 0.098509 O\n",
"nsites": 84,
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"formula_full": "Cs44 Rb28 O12",
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{
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}