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{
"id": "mp-23566",
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"structure_string": "Mn12 B28 I4 O52\n1.0\n8.800379 0.000000 0.000000\n0.000000 8.863481 0.000000\n0.000000 0.000000 12.498746\nMn B I O\n12 28 4 52\ndirect\n0.747927 0.242028 0.245152 Mn\n0.252073 0.757972 0.745152 Mn\n0.252073 0.742028 0.245152 Mn\n0.747927 0.257972 0.745152 Mn\n0.979466 0.498987 0.013725 Mn\n0.020534 0.501013 0.513725 Mn\n0.020534 0.998987 0.013725 Mn\n0.979466 0.001013 0.513725 Mn\n0.479634 0.501796 0.509572 Mn\n0.520366 0.001796 0.509572 Mn\n0.520366 0.498204 0.009572 Mn\n0.479634 0.998204 0.009572 Mn\n0.503476 0.998719 0.757747 B\n0.097124 0.257627 0.179628 B\n0.902876 0.742373 0.679628 B\n0.902876 0.757627 0.179628 B\n0.097124 0.242373 0.679628 B\n0.250065 0.406416 0.330572 B\n0.749935 0.593584 0.830572 B\n0.749935 0.906416 0.330572 B\n0.250065 0.093584 0.830572 B\n0.599066 0.742714 0.679018 B\n0.400934 0.257286 0.179018 B\n0.400934 0.242714 0.679018 B\n0.599066 0.757286 0.179018 B\n0.750497 0.949886 0.857851 B\n0.249503 0.050114 0.357851 B\n0.249503 0.449886 0.857851 B\n0.503476 0.501281 0.257747 B\n0.496524 0.498719 0.757747 B\n0.496524 0.001281 0.257747 B\n0.750497 0.550114 0.357851 B\n0.753330 0.742968 0.506170 B\n0.246670 0.257032 0.006170 B\n0.246670 0.242968 0.506170 B\n0.753330 0.757032 0.006170 B\n0.002835 0.001570 0.259791 B\n0.997165 0.998430 0.759791 B\n0.997165 0.501570 0.259791 B\n0.002835 0.498430 0.759791 B\n0.749260 0.248864 0.509753 I\n0.250740 0.751136 0.009753 I\n0.250740 0.748864 0.509753 I\n0.749260 0.251136 0.009753 I\n0.055074 0.097369 0.169927 O\n0.406423 0.043771 0.848316 O\n0.593577 0.956229 0.348316 O\n0.593577 0.543771 0.848316 O\n0.406423 0.456229 0.348316 O\n0.092961 0.462061 0.858830 O\n0.907039 0.537939 0.358830 O\n0.907039 0.962061 0.858830 O\n0.092961 0.037939 0.358830 O\n0.462903 0.089529 0.663202 O\n0.537097 0.910471 0.163202 O\n0.537097 0.589529 0.663202 O\n0.462903 0.410471 0.163202 O\n0.055074 0.402631 0.669927 O\n0.944926 0.597369 0.169927 O\n0.944926 0.902631 0.669927 O\n0.750318 0.774861 0.246168 O\n0.249682 0.225139 0.746168 O\n0.249682 0.274861 0.246168 O\n0.750318 0.725139 0.746168 O\n0.666808 0.466276 0.285236 O\n0.333192 0.533724 0.785236 O\n0.333192 0.966276 0.285236 O\n0.666808 0.033724 0.785236 O\n0.677264 0.620396 0.442198 O\n0.322736 0.379604 0.942198 O\n0.322736 0.120396 0.442198 O\n0.677264 0.879604 0.942198 O\n0.841543 0.029932 0.284602 O\n0.158457 0.970068 0.784602 O\n0.158457 0.529932 0.284602 O\n0.841543 0.470068 0.784602 O\n0.637878 0.687782 0.076312 O\n0.362122 0.312218 0.576312 O\n0.362122 0.187782 0.076312 O\n0.637878 0.812218 0.576312 O\n0.023793 0.840886 0.233550 O\n0.976207 0.159114 0.733550 O\n0.976207 0.340886 0.233550 O\n0.023793 0.659114 0.733550 O\n0.816880 0.858124 0.432957 O\n0.183120 0.141876 0.932957 O\n0.183120 0.358124 0.432957 O\n0.816880 0.641876 0.932957 O\n0.874848 0.678188 0.572701 O\n0.512762 0.335959 0.736021 O\n0.512762 0.164041 0.236021 O\n0.487238 0.835959 0.736021 O\n0.874848 0.821812 0.072701 O\n0.125152 0.178188 0.572701 O\n0.125152 0.321812 0.072701 O\n0.487238 0.664041 0.236021 O\n",
"nsites": 96,
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"elements": [
"Mn",
"B",
"I",
"O"
],
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"density": 3.9201041478065375,
"density_atomic": 0.098468902294969,
"volume": 974.9270862431952,
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"formula_full": "Mn12 B28 I4 O52",
"formula_reduced": "Mn3B7IO13",
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"energy": -810.1547797000001,
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"updated_at": "2021-11-28T01:36:07.439000Z",
"spacegroup": 29
},
{
"id": "mp-1097902",
"created_at": "2022-09-04T14:47:22.129009Z",
"structure_string": "Li12 Mn16 O32\n1.0\n5.721492 0.000000 0.000000\n0.000000 8.713111 0.000000\n0.000000 0.691180 12.995315\nLi Mn O\n12 16 32\ndirect\n0.256966 0.420806 0.958048 Li\n0.494414 0.466765 0.199032 Li\n0.018275 0.465630 0.200713 Li\n0.298684 0.959951 0.474804 Li\n0.751955 0.964624 0.712350 Li\n0.259794 0.994020 0.679703 Li\n0.756966 0.579194 0.041952 Li\n0.994414 0.533235 0.800968 Li\n0.518275 0.534370 0.799287 Li\n0.759794 0.005980 0.320297 Li\n0.251955 0.035376 0.287650 Li\n0.798684 0.040049 0.525196 Li\n0.507503 0.208771 0.095800 Mn\n0.006146 0.207454 0.096297 Mn\n0.511926 0.336194 0.655713 Mn\n0.008131 0.335454 0.659996 Mn\n0.011926 0.663806 0.344287 Mn\n0.508131 0.664546 0.340004 Mn\n0.007503 0.791229 0.904200 Mn\n0.506146 0.792546 0.903703 Mn\n0.755787 0.713841 0.591530 Mn\n0.257164 0.712292 0.597468 Mn\n0.756009 0.835639 0.159962 Mn\n0.253348 0.826543 0.153397 Mn\n0.753348 0.173457 0.846603 Mn\n0.256009 0.164361 0.840038 Mn\n0.757164 0.287708 0.402532 Mn\n0.255787 0.286159 0.408470 Mn\n0.760234 0.931405 0.868757 O\n0.255427 0.940954 0.874940 O\n0.756383 0.713682 0.430478 O\n0.270318 0.724586 0.434067 O\n0.770318 0.275414 0.565933 O\n0.256383 0.286318 0.569522 O\n0.755427 0.059046 0.125060 O\n0.260234 0.068595 0.131243 O\n0.005862 0.422859 0.365740 O\n0.506872 0.432092 0.367124 O\n0.014449 0.227028 0.932066 O\n0.490991 0.229450 0.933548 O\n0.514449 0.772972 0.067934 O\n0.990991 0.770550 0.066452 O\n0.505862 0.577141 0.634260 O\n0.006872 0.567908 0.632876 O\n0.507910 0.873387 0.600101 O\n0.005899 0.870751 0.600378 O\n0.007974 0.877340 0.253383 O\n0.508580 0.869351 0.263995 O\n0.007910 0.126613 0.399899 O\n0.505899 0.129249 0.399622 O\n0.507974 0.122660 0.746617 O\n0.008580 0.130649 0.736005 O\n0.757786 0.362210 0.112264 O\n0.255693 0.361152 0.107876 O\n0.757956 0.382086 0.753745 O\n0.253124 0.371713 0.766635 O\n0.755693 0.638848 0.892124 O\n0.257786 0.637790 0.887736 O\n0.753124 0.628287 0.233365 O\n0.257956 0.617914 0.246255 O\n",
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"elements": [
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"density": 3.7788544660714867,
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"volume": 647.8423768649355,
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"formula_full": "Li12 Mn16 O32",
"formula_reduced": "Li3Mn4O8",
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"energy": -449.15211974,
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},
{
"id": "mp-1003764",
"created_at": "2022-09-04T14:44:05.372086Z",
"structure_string": "K12 Mn16 O32\n1.0\n6.388401 0.000000 0.000000\n0.904605 10.316596 0.000000\n1.085342 4.079522 12.498322\nK Mn O\n12 16 32\ndirect\n0.745083 0.711693 0.752628 K\n0.751526 0.702354 0.251524 K\n0.473099 0.079121 0.748195 K\n0.030676 0.392877 0.247171 K\n0.479898 0.056731 0.251153 K\n0.249363 0.704931 0.252238 K\n0.234591 0.783108 0.749931 K\n0.003420 0.411465 0.750796 K\n0.966249 0.082425 0.745898 K\n0.979154 0.056963 0.247831 K\n0.496718 0.421480 0.750249 K\n0.532028 0.398450 0.252574 K\n0.246133 0.742702 0.001125 Mn\n0.235730 0.746094 0.497386 Mn\n0.737067 0.242778 0.999917 Mn\n0.743107 0.244106 0.502580 Mn\n0.748632 0.741570 0.002175 Mn\n0.742467 0.744420 0.501190 Mn\n0.232253 0.242617 0.995775 Mn\n0.235364 0.245533 0.496231 Mn\n0.995797 0.991479 0.000270 Mn\n0.987289 0.992915 0.503771 Mn\n0.486122 0.492947 0.999343 Mn\n0.490060 0.496440 0.495491 Mn\n0.504362 0.992015 0.006776 Mn\n0.489665 0.992738 0.505601 Mn\n0.981898 0.493483 0.995583 Mn\n0.991234 0.496852 0.495498 Mn\n0.761325 0.942646 0.926466 O\n0.754154 0.944441 0.427819 O\n0.220644 0.432771 0.913066 O\n0.222954 0.440365 0.406388 O\n0.221082 0.937670 0.910523 O\n0.217373 0.939287 0.415115 O\n0.717096 0.432835 0.911256 O\n0.757751 0.446003 0.419252 O\n0.976798 0.685159 0.915639 O\n0.970594 0.687885 0.413086 O\n0.505663 0.189057 0.925248 O\n0.472201 0.182852 0.417279 O\n0.479718 0.687159 0.915949 O\n0.476900 0.689676 0.414792 O\n0.968404 0.183060 0.912896 O\n0.966779 0.181845 0.416061 O\n0.009618 0.802444 0.586446 O\n0.016495 0.805331 0.086594 O\n0.505480 0.305208 0.583045 O\n0.505015 0.296214 0.086791 O\n0.504512 0.799812 0.585470 O\n0.513502 0.803434 0.085711 O\n0.011054 0.307254 0.582472 O\n0.969274 0.292791 0.073770 O\n0.224634 0.545139 0.571338 O\n0.264859 0.549527 0.090103 O\n0.754428 0.049927 0.591501 O\n0.763029 0.051361 0.087630 O\n0.762859 0.551020 0.585897 O\n0.765499 0.549442 0.089395 O\n0.221206 0.044077 0.580556 O\n0.230034 0.045273 0.074228 O\n",
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"elements": [
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],
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"formula_full": "K12 Mn16 O32",
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{
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"created_at": "2022-09-04T14:44:18.966917Z",
"structure_string": "Fe12 P8 H12 O44\n1.0\n8.137361 0.000000 0.000000\n0.000000 9.618588 0.000000\n0.000000 0.000000 9.898868\nFe P H O\n12 8 12 44\ndirect\n0.000000 0.000000 0.000000 Fe\n0.500000 0.500000 0.000000 Fe\n0.000000 0.000000 0.500000 Fe\n0.500000 0.500000 0.500000 Fe\n0.637033 0.049344 0.112411 Fe\n0.137033 0.450656 0.887589 Fe\n0.362967 0.049344 0.387589 Fe\n0.862967 0.450656 0.612411 Fe\n0.362967 0.950656 0.887589 Fe\n0.862967 0.549344 0.112411 Fe\n0.637033 0.950656 0.612411 Fe\n0.137033 0.549344 0.387589 Fe\n0.285788 0.208693 0.104983 P\n0.785788 0.291307 0.895017 P\n0.714212 0.208693 0.395017 P\n0.214212 0.291307 0.604983 P\n0.714212 0.791307 0.895017 P\n0.214212 0.708693 0.104983 P\n0.285788 0.791307 0.604983 P\n0.785788 0.708693 0.395017 P\n0.500000 0.847328 0.250000 H\n0.000000 0.652672 0.750000 H\n0.500000 0.152672 0.750000 H\n0.000000 0.347328 0.250000 H\n0.155461 0.870220 0.310650 H\n0.655461 0.629780 0.689350 H\n0.844539 0.870220 0.189350 H\n0.344539 0.629780 0.810650 H\n0.844539 0.129780 0.689350 H\n0.344539 0.370220 0.310650 H\n0.155461 0.129780 0.810650 H\n0.655461 0.370220 0.189350 H\n0.332011 0.211603 0.257539 O\n0.832011 0.288397 0.742461 O\n0.667989 0.211603 0.242461 O\n0.167989 0.288397 0.757539 O\n0.667989 0.788397 0.742461 O\n0.167989 0.711603 0.257539 O\n0.332011 0.788397 0.757539 O\n0.832011 0.711603 0.242461 O\n0.413940 0.112172 0.030060 O\n0.913940 0.387828 0.969940 O\n0.586060 0.112172 0.469940 O\n0.086060 0.387828 0.530060 O\n0.586060 0.887828 0.969940 O\n0.086060 0.612172 0.030060 O\n0.413940 0.887828 0.530060 O\n0.913940 0.612172 0.469940 O\n0.297480 0.358414 0.043397 O\n0.797480 0.141586 0.956603 O\n0.702520 0.358414 0.456603 O\n0.202520 0.141586 0.543397 O\n0.702520 0.641586 0.956603 O\n0.202520 0.858414 0.043397 O\n0.297480 0.641586 0.543397 O\n0.797480 0.858414 0.456603 O\n0.110163 0.156876 0.089128 O\n0.610163 0.343124 0.910872 O\n0.889837 0.156876 0.410872 O\n0.389837 0.343124 0.589128 O\n0.889837 0.843124 0.910872 O\n0.389837 0.656876 0.089128 O\n0.110163 0.843124 0.589128 O\n0.610163 0.656876 0.410872 O\n0.500000 0.948962 0.250000 O\n0.000000 0.551038 0.750000 O\n0.500000 0.051038 0.750000 O\n0.000000 0.448962 0.250000 O\n0.151567 0.967760 0.345523 O\n0.651567 0.532240 0.654477 O\n0.848433 0.967760 0.154477 O\n0.348433 0.532240 0.845523 O\n0.848433 0.032240 0.654477 O\n0.348433 0.467760 0.345523 O\n0.151567 0.032240 0.845523 O\n0.651567 0.467760 0.154477 O\n",
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"formula_full": "Fe12 P8 H12 O44",
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{
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"structure_string": "Mn12 P8 H4 O34\n1.0\n8.849716 4.730197 0.000000\n-8.849716 4.730197 0.000000\n0.000000 0.377308 8.240106\nMn P H O\n12 8 4 34\ndirect\n0.353049 0.183099 0.575981 Mn\n0.814647 0.069167 0.163655 Mn\n0.697868 0.319665 0.972210 Mn\n0.838465 0.244202 0.625947 Mn\n0.710538 0.470173 0.399290 Mn\n0.183099 0.353049 0.075981 Mn\n0.881942 0.716472 0.040017 Mn\n0.069167 0.814647 0.663655 Mn\n0.319665 0.697868 0.472210 Mn\n0.244202 0.838465 0.125947 Mn\n0.470173 0.710538 0.899290 Mn\n0.716472 0.881942 0.540017 Mn\n0.079671 0.016152 0.309716 P\n0.566790 0.087167 0.327302 P\n0.016152 0.079671 0.809716 P\n0.672503 0.571409 0.708851 P\n0.975159 0.465209 0.275007 P\n0.087167 0.566790 0.827302 P\n0.571409 0.672503 0.208851 P\n0.465209 0.975159 0.775007 P\n0.381714 0.217154 0.118776 H\n0.371614 0.222292 0.929143 H\n0.222292 0.371614 0.429143 H\n0.217154 0.381714 0.618776 H\n0.202532 0.193927 0.251158 O\n0.431596 0.213063 0.016350 O\n0.535252 0.212716 0.391301 O\n0.646134 0.138701 0.153289 O\n0.690227 0.075384 0.429244 O\n0.623062 0.144803 0.776274 O\n0.548717 0.414341 0.624889 O\n0.897302 0.073800 0.684649 O\n0.990574 0.140083 0.972435 O\n0.682012 0.610746 0.227299 O\n0.713359 0.534731 0.877334 O\n0.991672 0.330524 0.212730 O\n0.893142 0.420843 0.447672 O\n0.860174 0.488796 0.170595 O\n0.922008 0.404099 0.826557 O\n0.193927 0.202532 0.751158 O\n0.821819 0.658429 0.587756 O\n0.213063 0.431596 0.516350 O\n0.144803 0.623062 0.276274 O\n0.212716 0.535252 0.891301 O\n0.138701 0.646134 0.653289 O\n0.075384 0.690227 0.929244 O\n0.978759 0.908091 0.836710 O\n0.414341 0.548717 0.124889 O\n0.073800 0.897302 0.184649 O\n0.140083 0.990574 0.472435 O\n0.534731 0.713359 0.377334 O\n0.610746 0.682012 0.727299 O\n0.404099 0.922008 0.326557 O\n0.330524 0.991672 0.712730 O\n0.420843 0.893142 0.947672 O\n0.488796 0.860174 0.670595 O\n0.658429 0.821819 0.087756 O\n0.908091 0.978759 0.336710 O\n",
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{
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{
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{
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"structure_string": "Li15 Mn15 Si1 O32\n1.0\n8.343714 0.000000 0.000000\n-0.098631 8.427417 0.000000\n-0.028776 -0.003877 8.472087\nLi Mn Si O\n15 15 1 32\ndirect\n0.740281 0.127577 0.127210 Li\n0.018111 0.391768 0.127438 Li\n0.744770 0.617363 0.123379 Li\n0.255238 0.385982 0.369374 Li\n0.500272 0.118618 0.369538 Li\n0.251422 0.871362 0.380553 Li\n0.485963 0.622890 0.367582 Li\n0.999887 0.379380 0.620640 Li\n0.747069 0.122555 0.625095 Li\n0.000837 0.874308 0.635797 Li\n0.749412 0.628273 0.627585 Li\n0.500277 0.122303 0.881867 Li\n0.256897 0.381339 0.878277 Li\n0.485727 0.620631 0.884313 Li\n0.252758 0.874413 0.871721 Li\n0.250004 0.129508 0.126257 Mn\n0.491894 0.380148 0.126056 Mn\n0.466848 0.841911 0.126768 Mn\n0.745189 0.378239 0.374578 Mn\n0.749218 0.871591 0.371393 Mn\n0.005398 0.623751 0.370740 Mn\n0.002011 0.129583 0.378768 Mn\n0.496818 0.873715 0.627527 Mn\n0.504018 0.375856 0.623702 Mn\n0.251414 0.125034 0.624307 Mn\n0.246850 0.625458 0.626738 Mn\n0.998696 0.134731 0.873710 Mn\n0.011161 0.620930 0.874630 Mn\n0.746764 0.873114 0.880200 Mn\n0.752912 0.376526 0.876354 Mn\n0.004949 0.867734 0.120655 Si\n0.505144 0.606660 0.125578 O\n0.215745 0.896820 0.122058 O\n0.787930 0.880667 0.113519 O\n0.004826 0.660679 0.108030 O\n0.010730 0.105956 0.139557 O\n0.733007 0.371245 0.141366 O\n0.257006 0.353741 0.124671 O\n0.479831 0.132276 0.125290 O\n0.769766 0.638945 0.377104 O\n0.993758 0.863059 0.338192 O\n0.516881 0.871048 0.365367 O\n0.233182 0.626412 0.400077 O\n0.235667 0.125922 0.385421 O\n0.511272 0.373437 0.389401 O\n0.984138 0.390215 0.370973 O\n0.768049 0.108428 0.378252 O\n0.255675 0.887550 0.625670 O\n0.482896 0.640375 0.625251 O\n0.012079 0.628719 0.638642 O\n0.740164 0.875561 0.644943 O\n0.739228 0.375333 0.609825 O\n0.015242 0.123465 0.612544 O\n0.484163 0.109186 0.626467 O\n0.267118 0.362917 0.625042 O\n0.991869 0.893134 0.901206 O\n0.774598 0.609601 0.873835 O\n0.239594 0.626882 0.853102 O\n0.516158 0.871471 0.890125 O\n0.518912 0.374529 0.858908 O\n0.232679 0.127747 0.863455 O\n0.765614 0.140711 0.875290 O\n0.989817 0.365920 0.878888 O\n",
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"elements": [
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],
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"density": 4.092657401086428,
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"formula_full": "Li15 Mn15 Si1 O32",
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"updated_at": "2021-11-28T01:36:35.287000Z",
"spacegroup": 1
},
{
"id": "mp-759970",
"created_at": "2022-09-04T14:43:06.142045Z",
"structure_string": "Li16 Mn12 O4 F32\n1.0\n5.249429 0.000000 0.000000\n0.000000 5.714746 0.000000\n0.000000 0.000000 24.520116\nLi Mn O F\n16 12 4 32\ndirect\n0.984228 0.940185 0.569426 Li\n0.984228 0.940185 0.430574 Li\n0.555140 0.992350 0.779780 Li\n0.555140 0.992350 0.220220 Li\n0.055140 0.007650 0.720220 Li\n0.055140 0.007650 0.279780 Li\n0.484228 0.059815 0.069426 Li\n0.484228 0.059815 0.930574 Li\n0.523651 0.401669 0.563101 Li\n0.523651 0.401669 0.436899 Li\n0.929344 0.485972 0.218589 Li\n0.929344 0.485972 0.781411 Li\n0.429344 0.514028 0.718589 Li\n0.429344 0.514028 0.281411 Li\n0.023651 0.598331 0.063101 Li\n0.023651 0.598331 0.936899 Li\n0.453673 0.879856 0.500000 Mn\n0.985934 0.982646 0.135218 Mn\n0.985934 0.982646 0.864782 Mn\n0.485934 0.017354 0.635218 Mn\n0.485934 0.017354 0.364782 Mn\n0.953673 0.120144 0.000000 Mn\n0.091084 0.314987 0.500000 Mn\n0.491440 0.490156 0.141231 Mn\n0.491440 0.490156 0.858769 Mn\n0.991440 0.509844 0.641231 Mn\n0.991440 0.509844 0.358769 Mn\n0.591084 0.685013 0.000000 Mn\n0.309189 0.103688 0.440034 O\n0.309189 0.103688 0.559966 O\n0.809189 0.896312 0.940034 O\n0.809189 0.896312 0.059966 O\n0.291886 0.757336 0.102154 F\n0.291886 0.757336 0.897846 F\n0.745313 0.732720 0.179833 F\n0.745313 0.732720 0.820167 F\n0.339001 0.991596 0.000000 F\n0.199134 0.987028 0.209543 F\n0.199134 0.987028 0.790457 F\n0.699134 0.012972 0.709543 F\n0.699134 0.012972 0.290457 F\n0.839001 0.008404 0.500000 F\n0.245313 0.267280 0.679833 F\n0.245313 0.267280 0.320167 F\n0.791886 0.242664 0.602154 F\n0.791886 0.242664 0.397846 F\n0.231063 0.253283 0.895964 F\n0.231063 0.253283 0.104036 F\n0.739532 0.234847 0.177120 F\n0.739532 0.234847 0.822880 F\n0.178701 0.483575 0.000000 F\n0.280560 0.489008 0.213007 F\n0.280560 0.489008 0.786993 F\n0.202357 0.592509 0.559835 F\n0.202357 0.592509 0.440165 F\n0.702357 0.407491 0.059835 F\n0.702357 0.407491 0.940165 F\n0.780560 0.510992 0.713007 F\n0.780560 0.510992 0.286993 F\n0.678701 0.516425 0.500000 F\n0.239532 0.765153 0.677120 F\n0.239532 0.765153 0.322880 F\n0.731063 0.746717 0.604036 F\n0.731063 0.746717 0.395964 F\n",
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"formula_full": "Li16 Mn12 O4 F32",
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"spacegroup": 31
},
{
"id": "mp-777396",
"created_at": "2022-09-04T14:45:40.319370Z",
"structure_string": "Li8 Mn12 Fe4 O32\n1.0\n8.337842 0.000000 0.000000\n0.000000 8.337842 0.000000\n0.000000 0.000000 8.536673\nLi Mn Fe O\n8 12 4 32\ndirect\n0.497666 0.747670 0.870453 Li\n0.252330 0.502334 0.629547 Li\n0.247670 0.002334 0.120453 Li\n0.002334 0.247670 0.879547 Li\n0.997666 0.752330 0.379547 Li\n0.752330 0.997666 0.620453 Li\n0.747670 0.497666 0.129547 Li\n0.502334 0.252330 0.370453 Li\n0.377341 0.123392 0.751712 Mn\n0.376608 0.877341 0.501712 Mn\n0.371594 0.628406 0.250000 Mn\n0.128406 0.128406 0.500000 Mn\n0.123392 0.377341 0.248288 Mn\n0.122659 0.623392 0.998288 Mn\n0.877341 0.376608 0.498288 Mn\n0.876608 0.622659 0.748288 Mn\n0.871594 0.871594 0.000000 Mn\n0.628406 0.371594 0.750000 Mn\n0.623392 0.122659 0.001712 Mn\n0.622659 0.876608 0.251712 Mn\n0.376374 0.376374 0.000000 Fe\n0.123626 0.876374 0.750000 Fe\n0.876374 0.123626 0.250000 Fe\n0.623626 0.623626 0.500000 Fe\n0.390867 0.355860 0.760513 O\n0.391479 0.127946 0.979489 O\n0.385792 0.866252 0.269971 O\n0.372054 0.891479 0.729489 O\n0.385758 0.649649 0.504871 O\n0.366252 0.114208 0.519971 O\n0.355860 0.390867 0.239487 O\n0.350351 0.614242 0.995129 O\n0.149649 0.114242 0.754871 O\n0.144140 0.890867 0.510513 O\n0.133748 0.614208 0.230029 O\n0.114242 0.149649 0.245129 O\n0.127946 0.391479 0.020511 O\n0.114208 0.366252 0.480029 O\n0.108521 0.627946 0.770511 O\n0.109133 0.855860 0.989487 O\n0.890867 0.144140 0.489487 O\n0.891479 0.372054 0.270511 O\n0.885792 0.633748 0.980029 O\n0.872054 0.608521 0.520511 O\n0.885758 0.850351 0.745129 O\n0.866252 0.385792 0.730029 O\n0.855860 0.109133 0.010513 O\n0.850351 0.885758 0.254871 O\n0.649649 0.385758 0.495129 O\n0.644140 0.609133 0.739487 O\n0.633748 0.885792 0.019971 O\n0.614242 0.350351 0.004871 O\n0.627946 0.108521 0.229489 O\n0.614208 0.133748 0.769971 O\n0.608521 0.872054 0.479489 O\n0.609133 0.644140 0.260513 O\n",
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],
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{
"id": "mp-759565",
"created_at": "2022-09-04T14:41:19.367066Z",
"structure_string": "Li16 Mn12 F40\n1.0\n5.411545 0.000000 0.000000\n0.000000 5.415890 0.000000\n0.000000 0.000000 27.096543\nLi Mn F\n16 12 40\ndirect\n0.014395 0.510383 0.574507 Li\n0.014395 0.989617 0.074507 Li\n0.963210 0.465957 0.720194 Li\n0.963210 0.034043 0.220194 Li\n0.536790 0.965957 0.720194 Li\n0.536790 0.534043 0.220194 Li\n0.485605 0.489617 0.074507 Li\n0.485605 0.010383 0.574507 Li\n0.514395 0.989617 0.425493 Li\n0.514395 0.510383 0.925493 Li\n0.463210 0.465957 0.779806 Li\n0.463210 0.034043 0.279806 Li\n0.036790 0.965957 0.779806 Li\n0.036790 0.534043 0.279806 Li\n0.985605 0.010383 0.925493 Li\n0.985605 0.489617 0.425493 Li\n0.000000 0.500000 0.000000 Mn\n0.000000 0.000000 0.500000 Mn\n0.996379 0.495782 0.851464 Mn\n0.996379 0.004218 0.351464 Mn\n0.503621 0.504218 0.351464 Mn\n0.503621 0.995782 0.851464 Mn\n0.500000 0.500000 0.500000 Mn\n0.500000 0.000000 0.000000 Mn\n0.496379 0.495782 0.648536 Mn\n0.496379 0.004218 0.148536 Mn\n0.003621 0.995782 0.648536 Mn\n0.003621 0.504218 0.148536 Mn\n0.873750 0.098276 0.721369 F\n0.873750 0.401724 0.221369 F\n0.860212 0.393014 0.925661 F\n0.860212 0.106986 0.425661 F\n0.838804 0.334589 0.522796 F\n0.838804 0.165411 0.022796 F\n0.843384 0.159467 0.827089 F\n0.843384 0.340533 0.327089 F\n0.840193 0.332629 0.626106 F\n0.840193 0.167371 0.126106 F\n0.659807 0.667371 0.126106 F\n0.659807 0.832629 0.626106 F\n0.656616 0.659467 0.827089 F\n0.656616 0.840533 0.327089 F\n0.661196 0.834589 0.522796 F\n0.661196 0.665411 0.022796 F\n0.639788 0.606986 0.425661 F\n0.639788 0.893014 0.925661 F\n0.626250 0.598276 0.721369 F\n0.626250 0.901724 0.221369 F\n0.373750 0.098276 0.778631 F\n0.373750 0.401724 0.278631 F\n0.360212 0.106986 0.074339 F\n0.360212 0.393014 0.574339 F\n0.338804 0.334589 0.977204 F\n0.338804 0.165411 0.477204 F\n0.343384 0.159467 0.672911 F\n0.343384 0.340533 0.172911 F\n0.340193 0.167371 0.373894 F\n0.340193 0.332629 0.873894 F\n0.159807 0.667371 0.373894 F\n0.159807 0.832629 0.873894 F\n0.156616 0.659467 0.672911 F\n0.156616 0.840533 0.172911 F\n0.161196 0.834589 0.977204 F\n0.161196 0.665411 0.477204 F\n0.139788 0.893014 0.574339 F\n0.139788 0.606986 0.074339 F\n0.126250 0.598276 0.778631 F\n0.126250 0.901724 0.278631 F\n",
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}
]
}