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{
"id": "mp-1248193",
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"structure_string": "Al12 Si12 Ag16 S5 O48\n1.0\n9.009726 0.007334 0.003075\n0.007476 8.924458 0.000173\n0.005744 0.000719 17.989717\nAl Si Ag S O\n12 12 16 5 48\ndirect\n0.997465 0.749361 0.245951 Al\n0.997257 0.250852 0.752574 Al\n0.000174 0.749363 0.752743 Al\n0.248324 0.500097 0.999502 Al\n0.248688 0.500590 0.499761 Al\n0.498864 0.000040 0.372201 Al\n0.499349 0.999539 0.123720 Al\n0.498786 0.000334 0.627020 Al\n0.499030 0.000173 0.875210 Al\n0.749117 0.499308 0.999395 Al\n0.748697 0.499786 0.499787 Al\n0.999986 0.250716 0.245987 Al\n0.998568 0.499757 0.122885 Si\n0.249621 0.000186 0.246646 Si\n0.249544 0.999671 0.752125 Si\n0.498637 0.749299 0.999557 Si\n0.498323 0.749213 0.499811 Si\n0.499417 0.250221 0.999366 Si\n0.499142 0.251138 0.499755 Si\n0.748236 0.999960 0.246660 Si\n0.748165 0.000455 0.751960 Si\n0.998795 0.500176 0.372963 Si\n0.998774 0.500222 0.626079 Si\n0.998699 0.500028 0.876042 Si\n0.159301 0.154929 0.073561 Ag\n0.178461 0.179249 0.592781 Ag\n0.180280 0.819166 0.404956 Ag\n0.157037 0.846158 0.923989 Ag\n0.337631 0.339695 0.323391 Ag\n0.351467 0.646078 0.167716 Ag\n0.348748 0.352001 0.830612 Ag\n0.340387 0.659134 0.675716 Ag\n0.643893 0.353959 0.167873 Ag\n0.659859 0.660267 0.322890 Ag\n0.657788 0.342309 0.676165 Ag\n0.648490 0.648108 0.830332 Ag\n0.817311 0.181315 0.405209 Ag\n0.840398 0.843383 0.072711 Ag\n0.842508 0.153329 0.923657 Ag\n0.818890 0.821032 0.592763 Ag\n0.108174 0.001784 0.497696 S\n0.498025 0.500096 0.747763 S\n0.497988 0.500358 0.253645 S\n0.999715 0.999794 0.999990 S\n0.889529 0.997682 0.497355 S\n0.065773 0.636309 0.173845 O\n0.059525 0.359610 0.322743 O\n0.060124 0.639960 0.676344 O\n0.065486 0.363196 0.824865 O\n0.135472 0.432195 0.072324 O\n0.135698 0.437443 0.573965 O\n0.135580 0.562115 0.425211 O\n0.135134 0.567360 0.926629 O\n0.149296 0.139529 0.214920 O\n0.144108 0.136335 0.719871 O\n0.144287 0.863341 0.278378 O\n0.148927 0.860867 0.783866 O\n0.348793 0.061426 0.317233 O\n0.352594 0.932573 0.179620 O\n0.351988 0.066922 0.819357 O\n0.349396 0.937752 0.681928 O\n0.359865 0.351447 0.469423 O\n0.360724 0.647971 0.032129 O\n0.362100 0.352832 0.967059 O\n0.357777 0.650988 0.530308 O\n0.434140 0.148074 0.067818 O\n0.439007 0.148300 0.569417 O\n0.439465 0.852223 0.429912 O\n0.433660 0.851999 0.931167 O\n0.558085 0.148026 0.429875 O\n0.564968 0.148608 0.930734 O\n0.564444 0.850322 0.068250 O\n0.558368 0.852075 0.569476 O\n0.636641 0.351812 0.032405 O\n0.637633 0.648852 0.469442 O\n0.635290 0.646386 0.966751 O\n0.639654 0.349351 0.530329 O\n0.645223 0.067677 0.179732 O\n0.648963 0.938562 0.317240 O\n0.648289 0.062688 0.681885 O\n0.645590 0.932971 0.819141 O\n0.853534 0.136509 0.278668 O\n0.848685 0.139259 0.783897 O\n0.848462 0.860616 0.214848 O\n0.853486 0.863717 0.719857 O\n0.861880 0.438271 0.425207 O\n0.862303 0.432170 0.926528 O\n0.862023 0.567221 0.072130 O\n0.861987 0.562774 0.573864 O\n0.937162 0.359743 0.676049 O\n0.931352 0.363364 0.173863 O\n0.937768 0.640819 0.322850 O\n0.931749 0.637132 0.825172 O\n",
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"formula_full": "Al12 Si12 Ag16 S5 O48",
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{
"id": "mp-1200284",
"created_at": "2022-09-04T14:48:15.553721Z",
"structure_string": "Al12 Si12 Pb8 O52\n1.0\n5.892232 0.000000 0.000000\n0.000000 10.950143 0.000000\n0.000000 0.000000 15.904283\nAl Si Pb O\n12 12 8 52\ndirect\n0.750000 0.840331 0.885248 Al\n0.750000 0.659669 0.385248 Al\n0.250000 0.159669 0.114752 Al\n0.250000 0.340331 0.614752 Al\n0.996179 0.684895 0.742062 Al\n0.503821 0.815105 0.242062 Al\n0.496179 0.315105 0.257938 Al\n0.003821 0.184895 0.757938 Al\n0.003821 0.315105 0.257938 Al\n0.496179 0.184895 0.757938 Al\n0.503821 0.684895 0.742062 Al\n0.996179 0.815105 0.242062 Al\n0.250000 0.913369 0.406405 Si\n0.250000 0.586631 0.906405 Si\n0.750000 0.086631 0.593595 Si\n0.750000 0.413369 0.093595 Si\n0.750000 0.792124 0.576107 Si\n0.750000 0.707876 0.076107 Si\n0.250000 0.207876 0.423893 Si\n0.250000 0.292124 0.923893 Si\n0.250000 0.931050 0.836803 Si\n0.250000 0.568950 0.336803 Si\n0.750000 0.068950 0.163197 Si\n0.750000 0.431050 0.663197 Si\n0.250000 0.946662 0.630615 Pb\n0.250000 0.553338 0.130615 Pb\n0.750000 0.053338 0.369385 Pb\n0.750000 0.446662 0.869385 Pb\n0.250000 0.637752 0.547349 Pb\n0.250000 0.862248 0.047349 Pb\n0.750000 0.362248 0.452651 Pb\n0.750000 0.137752 0.952651 Pb\n0.474491 0.887644 0.349450 O\n0.025509 0.612356 0.849450 O\n0.974491 0.112356 0.650550 O\n0.525509 0.387644 0.150550 O\n0.525509 0.112356 0.650550 O\n0.974491 0.387644 0.150550 O\n0.025509 0.887644 0.349450 O\n0.474491 0.612356 0.849450 O\n0.480044 0.920212 0.894960 O\n0.019956 0.579788 0.394960 O\n0.980044 0.079788 0.105040 O\n0.519956 0.420212 0.605040 O\n0.519956 0.079788 0.105040 O\n0.980044 0.420212 0.605040 O\n0.019956 0.920212 0.894960 O\n0.480044 0.579788 0.394960 O\n0.974951 0.754495 0.631635 O\n0.525049 0.745505 0.131635 O\n0.474951 0.245505 0.368365 O\n0.025049 0.254495 0.868365 O\n0.025049 0.245505 0.368365 O\n0.474951 0.254495 0.868365 O\n0.525049 0.754495 0.631635 O\n0.974951 0.745505 0.131635 O\n0.750000 0.775613 0.783019 O\n0.750000 0.724387 0.283019 O\n0.250000 0.224387 0.216981 O\n0.250000 0.275613 0.716981 O\n0.250000 0.815411 0.768279 O\n0.250000 0.684589 0.268279 O\n0.750000 0.184589 0.231721 O\n0.750000 0.315411 0.731721 O\n0.250000 0.063426 0.785661 O\n0.250000 0.436574 0.285661 O\n0.750000 0.936574 0.214339 O\n0.750000 0.563426 0.714339 O\n0.250000 0.838768 0.494798 O\n0.250000 0.661232 0.994798 O\n0.750000 0.161232 0.505202 O\n0.750000 0.338768 0.005202 O\n0.750000 0.725998 0.486542 O\n0.750000 0.774002 0.986542 O\n0.250000 0.274002 0.513458 O\n0.250000 0.225998 0.013458 O\n0.750000 0.941786 0.563450 O\n0.750000 0.558214 0.063450 O\n0.250000 0.058214 0.436550 O\n0.250000 0.441786 0.936550 O\n0.250000 0.599952 0.704035 O\n0.250000 0.900048 0.204035 O\n0.750000 0.400048 0.295965 O\n0.750000 0.099952 0.795965 O\n",
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{
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{
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{
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{
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"structure_string": "Al12 Te12 Br4\n1.0\n0.000000 -4.142058 0.000000\n-11.232883 0.000000 0.000000\n0.000000 0.000000 -20.229167\nAl Te Br\n12 12 4\ndirect\n0.750000 0.831234 0.507178 Al\n0.250000 0.168766 0.492822 Al\n0.250000 0.668766 0.007178 Al\n0.750000 0.331234 0.992822 Al\n0.750000 0.951442 0.399808 Al\n0.250000 0.048558 0.600192 Al\n0.250000 0.548558 0.899808 Al\n0.750000 0.451442 0.100192 Al\n0.750000 0.840258 0.867122 Al\n0.250000 0.159742 0.132878 Al\n0.250000 0.659742 0.367122 Al\n0.750000 0.340258 0.632878 Al\n0.750000 0.772054 0.310402 Te\n0.250000 0.227946 0.689598 Te\n0.250000 0.727946 0.810402 Te\n0.750000 0.272054 0.189598 Te\n0.750000 0.824952 0.998670 Te\n0.250000 0.175048 0.001330 Te\n0.250000 0.675048 0.498670 Te\n0.750000 0.324952 0.501330 Te\n0.750000 0.905797 0.633423 Te\n0.250000 0.094203 0.366577 Te\n0.250000 0.594203 0.133423 Te\n0.750000 0.405797 0.866577 Te\n0.750000 0.537030 0.666114 Br\n0.250000 0.462970 0.333886 Br\n0.250000 0.962970 0.166114 Br\n0.750000 0.037030 0.833886 Br\n",
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{
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"structure_string": "Al12 Te12 I4\n1.0\n4.153185 0.000000 0.000000\n0.000000 11.670252 0.000000\n0.000000 0.000000 21.307713\nAl Te I\n12 12 4\ndirect\n0.750000 0.323547 0.871656 Al\n0.250000 0.676453 0.128344 Al\n0.750000 0.823547 0.628344 Al\n0.250000 0.176453 0.371656 Al\n0.250000 0.163923 0.005346 Al\n0.750000 0.836077 0.994654 Al\n0.250000 0.663923 0.494654 Al\n0.750000 0.336077 0.505346 Al\n0.250000 0.044007 0.905018 Al\n0.750000 0.955993 0.094982 Al\n0.250000 0.544007 0.594982 Al\n0.750000 0.455993 0.405018 Al\n0.250000 0.213727 0.818588 Te\n0.750000 0.786273 0.181412 Te\n0.250000 0.713727 0.681412 Te\n0.750000 0.286273 0.318588 Te\n0.750000 0.906424 0.874546 Te\n0.250000 0.093576 0.125454 Te\n0.750000 0.406424 0.625454 Te\n0.250000 0.593576 0.374546 Te\n0.750000 0.313609 0.997039 Te\n0.250000 0.686391 0.002961 Te\n0.750000 0.813609 0.502961 Te\n0.250000 0.186391 0.497039 Te\n0.750000 0.529844 0.835513 I\n0.250000 0.470156 0.164487 I\n0.750000 0.029844 0.664487 I\n0.250000 0.970156 0.335513 I\n",
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{
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{
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{
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{
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"structure_string": "Al13 Cu3 Se24\n1.0\n3.740625 6.414092 0.000000\n-3.740625 6.414092 0.000000\n0.000000 0.112673 18.317456\nAl Cu Se\n13 3 24\ndirect\n0.667066 0.667066 0.091375 Al\n0.341251 0.341251 0.416477 Al\n0.003179 0.003179 0.747775 Al\n0.164344 0.672106 0.206514 Al\n0.828229 0.343662 0.542505 Al\n0.493558 0.013061 0.878739 Al\n0.997246 0.997246 0.373082 Al\n0.669317 0.669317 0.702231 Al\n0.672106 0.164344 0.206514 Al\n0.343662 0.828229 0.542505 Al\n0.013061 0.493558 0.878739 Al\n0.163635 0.163635 0.206600 Al\n0.493215 0.493215 0.879008 Al\n0.999432 0.999432 0.996756 Cu\n0.666187 0.666187 0.335562 Cu\n0.329090 0.329090 0.665528 Cu\n0.487997 0.487997 0.127003 Se\n0.156639 0.156639 0.461104 Se\n0.822363 0.822363 0.794346 Se\n0.023134 0.488813 0.126827 Se\n0.687905 0.154164 0.461596 Se\n0.358466 0.820303 0.795057 Se\n0.332576 0.332576 0.283201 Se\n0.999106 0.999106 0.617506 Se\n0.666813 0.666813 0.951146 Se\n0.488813 0.023134 0.126827 Se\n0.154164 0.687905 0.461596 Se\n0.820303 0.358466 0.795057 Se\n0.843948 0.313863 0.289561 Se\n0.508937 0.983303 0.621999 Se\n0.175990 0.647436 0.957518 Se\n0.000142 0.000142 0.130265 Se\n0.665561 0.665561 0.463986 Se\n0.333797 0.333797 0.798200 Se\n0.313863 0.843948 0.289561 Se\n0.983303 0.508937 0.621999 Se\n0.647436 0.175990 0.957518 Se\n0.841930 0.841930 0.288626 Se\n0.508330 0.508330 0.623510 Se\n0.176712 0.176712 0.957487 Se\n",
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}