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{
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{
"id": "mp-696125",
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"structure_string": "Li20 Si2 P4 O24\n1.0\n7.039448 0.000000 0.000000\n0.000000 7.039448 0.000000\n0.000000 0.000000 10.381355\nLi Si P O\n20 2 4 24\ndirect\n0.228834 0.264989 0.297545 Li\n0.771166 0.735011 0.297545 Li\n0.264989 0.771166 0.797545 Li\n0.735011 0.228834 0.797545 Li\n0.228834 0.735011 0.297545 Li\n0.771166 0.264989 0.297545 Li\n0.264989 0.228834 0.797545 Li\n0.735011 0.771166 0.797545 Li\n0.000000 0.000000 0.929968 Li\n0.000000 0.000000 0.429968 Li\n0.500000 0.500000 0.563002 Li\n0.500000 0.500000 0.063002 Li\n0.241354 0.699915 0.044167 Li\n0.758646 0.300085 0.044167 Li\n0.300085 0.241354 0.544167 Li\n0.699915 0.758646 0.544167 Li\n0.300085 0.758646 0.544167 Li\n0.699915 0.241354 0.544167 Li\n0.241354 0.300085 0.044167 Li\n0.758646 0.699915 0.044167 Li\n0.500000 0.500000 0.809185 Si\n0.500000 0.500000 0.309185 Si\n0.000000 0.000000 0.679727 P\n0.000000 0.000000 0.179727 P\n0.000000 0.500000 0.493966 P\n0.500000 0.000000 0.993966 P\n0.000000 0.686276 0.410169 O\n0.000000 0.313724 0.410169 O\n0.313724 0.000000 0.910169 O\n0.686276 0.000000 0.910169 O\n0.500000 0.187039 0.073098 O\n0.500000 0.812961 0.073098 O\n0.187039 0.500000 0.573098 O\n0.812961 0.500000 0.573098 O\n0.000000 0.819639 0.092153 O\n0.000000 0.180361 0.092153 O\n0.180361 0.000000 0.592153 O\n0.819639 0.000000 0.592153 O\n0.500000 0.311224 0.405784 O\n0.500000 0.688776 0.405784 O\n0.311224 0.500000 0.905784 O\n0.688776 0.500000 0.905784 O\n0.000000 0.177451 0.768423 O\n0.000000 0.822549 0.768423 O\n0.822549 0.000000 0.268423 O\n0.177451 0.000000 0.268423 O\n0.500000 0.688536 0.712624 O\n0.500000 0.311464 0.712624 O\n0.688536 0.500000 0.212624 O\n0.311464 0.500000 0.212624 O\n",
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},
{
"id": "mp-1041479",
"created_at": "2022-09-04T14:40:17.887890Z",
"structure_string": "Mg8 Cu8 Si16 O48\n1.0\n5.282664 0.000000 0.000000\n0.000000 9.038806 0.000000\n0.000000 0.000000 18.422464\nMg Cu Si O\n8 8 16 48\ndirect\n0.613771 0.152084 0.375786 Mg\n0.386229 0.847916 0.624214 Mg\n0.613771 0.652084 0.124214 Mg\n0.113771 0.847916 0.124214 Mg\n0.886229 0.152084 0.875786 Mg\n0.386229 0.347916 0.875786 Mg\n0.113771 0.347916 0.375786 Mg\n0.886229 0.652084 0.624214 Mg\n0.380361 0.992522 0.875515 Cu\n0.619639 0.007478 0.124485 Cu\n0.880361 0.007478 0.624485 Cu\n0.119639 0.992522 0.375515 Cu\n0.380361 0.492522 0.624485 Cu\n0.619639 0.507478 0.375515 Cu\n0.880361 0.507478 0.875515 Cu\n0.119639 0.492522 0.124485 Cu\n0.574495 0.661858 0.774258 Si\n0.727004 0.836207 0.473908 Si\n0.772996 0.836207 0.973908 Si\n0.925505 0.161858 0.225742 Si\n0.074495 0.338142 0.725742 Si\n0.425505 0.838142 0.274258 Si\n0.227004 0.663793 0.473908 Si\n0.727004 0.336207 0.026092 Si\n0.772996 0.336207 0.526092 Si\n0.925505 0.661858 0.274258 Si\n0.425505 0.338142 0.225742 Si\n0.574495 0.161858 0.725742 Si\n0.272996 0.163793 0.526092 Si\n0.074495 0.838142 0.774258 Si\n0.272996 0.663793 0.973908 Si\n0.227004 0.163793 0.026092 Si\n0.919106 0.500472 0.313700 O\n0.309566 0.013520 0.068560 O\n0.080894 0.499528 0.686300 O\n0.716970 0.339466 0.936782 O\n0.216970 0.160534 0.936782 O\n0.933294 0.207210 0.050656 O\n0.932971 0.666266 0.186270 O\n0.067029 0.833734 0.686270 O\n0.716970 0.839466 0.563218 O\n0.932971 0.166266 0.313730 O\n0.419106 0.499528 0.186300 O\n0.783030 0.339466 0.436782 O\n0.690434 0.986480 0.931440 O\n0.432971 0.833734 0.186270 O\n0.580894 0.000472 0.686300 O\n0.309566 0.513520 0.431440 O\n0.419106 0.999528 0.313700 O\n0.158853 0.764988 0.305638 O\n0.341147 0.764988 0.805638 O\n0.566706 0.707210 0.949344 O\n0.783030 0.839466 0.063218 O\n0.567029 0.666266 0.686270 O\n0.809566 0.486480 0.068560 O\n0.158853 0.264988 0.194362 O\n0.283030 0.160534 0.436782 O\n0.567029 0.166266 0.813730 O\n0.690434 0.486480 0.568560 O\n0.216970 0.660534 0.563218 O\n0.190434 0.513520 0.931440 O\n0.658853 0.735012 0.305638 O\n0.080894 0.999528 0.813700 O\n0.841147 0.735012 0.805638 O\n0.841147 0.235012 0.694362 O\n0.809566 0.986480 0.431440 O\n0.283030 0.660534 0.063218 O\n0.190434 0.013520 0.568560 O\n0.341147 0.264988 0.694362 O\n0.066706 0.792790 0.949344 O\n0.433294 0.792790 0.449344 O\n0.658853 0.235012 0.194362 O\n0.433294 0.292790 0.050656 O\n0.566706 0.207210 0.550656 O\n0.066706 0.292790 0.550656 O\n0.432971 0.333734 0.313730 O\n0.580894 0.500472 0.813700 O\n0.933294 0.707210 0.449344 O\n0.067029 0.333734 0.813730 O\n0.919106 0.000472 0.186300 O\n",
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"elements": [
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"updated_at": "2021-11-28T01:35:02.126000Z",
"spacegroup": 61
},
{
"id": "mp-979418",
"created_at": "2022-09-04T14:40:17.890078Z",
"structure_string": "Sm4 Re6 B12\n1.0\n5.284625 3.403045 0.000000\n-5.284625 3.403045 0.000000\n0.000000 0.130146 7.567596\nSm Re B\n4 6 12\ndirect\n0.441724 0.095194 0.175493 Sm\n0.904806 0.558276 0.324507 Sm\n0.558276 0.904806 0.824507 Sm\n0.095194 0.441724 0.675493 Sm\n0.805481 0.989854 0.412325 Re\n0.010146 0.194519 0.087675 Re\n0.194519 0.010146 0.587675 Re\n0.989854 0.805481 0.912325 Re\n0.414421 0.585579 0.250000 Re\n0.585579 0.414421 0.750000 Re\n0.153182 0.245170 0.368474 B\n0.754830 0.846818 0.131526 B\n0.846818 0.754830 0.631526 B\n0.245170 0.153182 0.868474 B\n0.160051 0.587574 0.020046 B\n0.412426 0.839949 0.479954 B\n0.839949 0.412426 0.979954 B\n0.587574 0.160051 0.520046 B\n0.349839 0.442657 0.965340 B\n0.557343 0.650161 0.534660 B\n0.650161 0.557343 0.034660 B\n0.442657 0.349839 0.465340 B\n",
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{
"id": "mp-1197916",
"created_at": "2022-09-04T14:40:17.907049Z",
"structure_string": "Sr8 Ga8 B8 O32\n1.0\n5.982723 0.000000 0.000000\n0.000000 9.119680 0.000000\n0.000000 0.000000 15.554765\nSr Ga B O\n8 8 8 32\ndirect\n0.502612 0.573906 0.620673 Sr\n0.502612 0.426094 0.379327 Sr\n0.497388 0.926094 0.120673 Sr\n0.497388 0.073906 0.879327 Sr\n0.997001 0.213211 0.021366 Sr\n0.997001 0.786789 0.978634 Sr\n0.002999 0.286789 0.521366 Sr\n0.002999 0.713211 0.478634 Sr\n0.746756 0.461822 0.845554 Ga\n0.746756 0.538178 0.154446 Ga\n0.253244 0.038178 0.345554 Ga\n0.253244 0.961822 0.654446 Ga\n0.247483 0.463552 0.846474 Ga\n0.247483 0.536448 0.153526 Ga\n0.752517 0.036448 0.346474 Ga\n0.752517 0.963552 0.653526 Ga\n0.000233 0.519741 0.686850 B\n0.000233 0.480259 0.313150 B\n0.999767 0.980259 0.186850 B\n0.999767 0.019741 0.813150 B\n0.502340 0.207240 0.575792 B\n0.502340 0.792760 0.424208 B\n0.497660 0.292760 0.075792 B\n0.497660 0.707240 0.924208 B\n0.002933 0.530704 0.599010 O\n0.002933 0.469296 0.400990 O\n0.997067 0.969296 0.099010 O\n0.997067 0.030704 0.900990 O\n0.293794 0.640953 0.905437 O\n0.293794 0.359047 0.094563 O\n0.706206 0.859047 0.405437 O\n0.706206 0.140953 0.594563 O\n0.496487 0.346046 0.853961 O\n0.496487 0.653954 0.146039 O\n0.503513 0.153954 0.353961 O\n0.503513 0.846046 0.646039 O\n0.700425 0.357839 0.098089 O\n0.700425 0.642161 0.901911 O\n0.299575 0.142161 0.598089 O\n0.299575 0.857839 0.401911 O\n0.203142 0.517831 0.731197 O\n0.203142 0.482169 0.268803 O\n0.796858 0.982169 0.231197 O\n0.796858 0.017831 0.768803 O\n0.795391 0.507391 0.729203 O\n0.795391 0.492609 0.270797 O\n0.204609 0.992609 0.229203 O\n0.204609 0.007391 0.770797 O\n0.997040 0.376624 0.891769 O\n0.997040 0.623376 0.108231 O\n0.002960 0.123376 0.391769 O\n0.002960 0.876624 0.608231 O\n0.501000 0.340303 0.534334 O\n0.501000 0.659697 0.465666 O\n0.499000 0.159697 0.034334 O\n0.499000 0.840303 0.965666 O\n",
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{
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"structure_string": "Na8 Mn2 Al6 Si6 O32\n1.0\n9.269245 0.000000 0.000000\n0.000000 9.162894 0.000000\n0.000000 0.003240 9.213923\nNa Mn Al Si O\n8 2 6 6 32\ndirect\n0.774559 0.773083 0.272174 Na\n0.774559 0.226917 0.727826 Na\n0.726220 0.724956 0.776734 Na\n0.726220 0.275044 0.223266 Na\n0.270811 0.728591 0.227950 Na\n0.270811 0.271409 0.772050 Na\n0.220973 0.776785 0.723512 Na\n0.220973 0.223215 0.276488 Na\n0.029783 0.000000 0.500000 Mn\n0.480676 0.500000 0.000000 Mn\n0.001873 0.750651 0.000836 Al\n0.001873 0.249349 0.999164 Al\n0.749510 0.500000 0.500000 Al\n0.501724 0.000536 0.750698 Al\n0.501724 0.999464 0.249302 Al\n0.249446 0.500000 0.500000 Al\n0.998837 0.499951 0.251163 Si\n0.998837 0.500049 0.748837 Si\n0.751275 0.000000 0.000000 Si\n0.499788 0.250284 0.498739 Si\n0.499788 0.749716 0.501261 Si\n0.253251 0.000000 0.000000 Si\n0.963369 0.356233 0.152005 O\n0.963369 0.643767 0.847995 O\n0.852093 0.536095 0.343982 O\n0.852093 0.463905 0.656018 O\n0.848706 0.856112 0.037275 O\n0.848706 0.143888 0.962725 O\n0.657028 0.964730 0.854068 O\n0.657028 0.035270 0.145932 O\n0.642780 0.652528 0.539213 O\n0.642780 0.347472 0.460787 O\n0.580799 0.645178 0.994848 O\n0.580799 0.354822 0.005152 O\n0.539950 0.846006 0.356941 O\n0.539950 0.153994 0.643059 O\n0.462917 0.845624 0.646402 O\n0.462917 0.154376 0.353598 O\n0.380187 0.503360 0.143054 O\n0.380187 0.496640 0.856946 O\n0.354486 0.655221 0.464508 O\n0.354486 0.344779 0.535492 O\n0.351507 0.961051 0.141568 O\n0.351507 0.038949 0.858432 O\n0.156382 0.854916 0.962821 O\n0.156382 0.145084 0.037179 O\n0.139174 0.539101 0.649637 O\n0.139174 0.460899 0.350363 O\n0.131541 0.041159 0.637080 O\n0.131541 0.958841 0.362920 O\n0.036082 0.646628 0.156861 O\n0.036082 0.353372 0.843139 O\n0.929348 0.861522 0.540861 O\n0.929348 0.138478 0.459139 O\n",
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"formula_full": "Na8 Mn2 Al6 Si6 O32",
"formula_reduced": "Na4MnAl3Si3O16",
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{
"id": "mp-644277",
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"structure_string": "Fe4 Cu2 H8 O4 F16\n1.0\n3.817809 3.820838 -0.037930\n-3.817809 3.820838 0.037930\n-0.011225 0.000000 13.198353\nFe Cu H O F\n4 2 8 4 16\ndirect\n0.205538 0.706008 0.752789 Fe\n0.706008 0.205538 0.747211 Fe\n0.794462 0.293992 0.247211 Fe\n0.293992 0.794462 0.252789 Fe\n0.000000 0.500000 0.500000 Cu\n0.500000 0.000000 0.000000 Cu\n0.248385 0.409626 0.961975 H\n0.409626 0.248385 0.538025 H\n0.751615 0.590374 0.038025 H\n0.590374 0.751615 0.461975 H\n0.909494 0.756756 0.959160 H\n0.756756 0.909494 0.540840 H\n0.090506 0.243244 0.040840 H\n0.243244 0.090506 0.459160 H\n0.245370 0.254866 0.001774 O\n0.254866 0.245370 0.498226 O\n0.754630 0.745134 0.998226 O\n0.745134 0.754630 0.501774 O\n0.007395 0.398596 0.768146 F\n0.398596 0.007395 0.731854 F\n0.992605 0.601404 0.231854 F\n0.601404 0.992605 0.268146 F\n0.176196 0.669350 0.606221 F\n0.669350 0.176196 0.893779 F\n0.823804 0.330650 0.393779 F\n0.330650 0.823804 0.106221 F\n0.214352 0.720317 0.899197 F\n0.720317 0.214352 0.600803 F\n0.785648 0.279683 0.100803 F\n0.279683 0.785648 0.399197 F\n0.898551 0.898551 0.750000 F\n0.101449 0.101449 0.250000 F\n0.508433 0.508433 0.750000 F\n0.491567 0.491567 0.250000 F\n",
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{
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{
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{
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}