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{
"id": "mp-29195",
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"structure_string": "Li12 P12 O36\n1.0\n17.304123 0.000000 0.000000\n0.000000 5.411331 0.000000\n0.000000 4.086833 8.022929\nLi P O\n12 12 36\ndirect\n0.189711 0.917633 0.274525 Li\n0.689711 0.082367 0.225475 Li\n0.810289 0.082367 0.725475 Li\n0.310289 0.917633 0.774525 Li\n0.021000 0.075125 0.128967 Li\n0.521000 0.924875 0.371033 Li\n0.979000 0.924875 0.871033 Li\n0.479000 0.075125 0.628967 Li\n0.843406 0.175838 0.062469 Li\n0.343406 0.824162 0.437531 Li\n0.156594 0.824162 0.937531 Li\n0.656594 0.175838 0.562469 Li\n0.901591 0.604187 0.693815 P\n0.401591 0.395813 0.806185 P\n0.098409 0.395813 0.306185 P\n0.598409 0.604187 0.193815 P\n0.563227 0.505233 0.720306 P\n0.063227 0.494767 0.779694 P\n0.436773 0.494767 0.279694 P\n0.936773 0.505233 0.220306 P\n0.689304 0.607639 0.910514 P\n0.189304 0.392361 0.589486 P\n0.310696 0.392361 0.089486 P\n0.810696 0.607639 0.410514 P\n0.566764 0.308126 0.645376 O\n0.066764 0.691874 0.854624 O\n0.433236 0.691874 0.354624 O\n0.933236 0.308126 0.145376 O\n0.130424 0.679678 0.194039 O\n0.630424 0.320322 0.305961 O\n0.869576 0.320322 0.805961 O\n0.369576 0.679678 0.694039 O\n0.396504 0.169804 0.753352 O\n0.896504 0.830196 0.746648 O\n0.603496 0.830196 0.246648 O\n0.103496 0.169804 0.253352 O\n0.508792 0.574109 0.151274 O\n0.008792 0.425891 0.348726 O\n0.491208 0.425891 0.848726 O\n0.991208 0.574109 0.651274 O\n0.867550 0.430295 0.351983 O\n0.367550 0.569705 0.148017 O\n0.132450 0.569705 0.648017 O\n0.632450 0.430295 0.851983 O\n0.756395 0.398047 0.532084 O\n0.256395 0.601953 0.967916 O\n0.243605 0.601953 0.467916 O\n0.743605 0.398047 0.032084 O\n0.940264 0.812246 0.104675 O\n0.440264 0.187754 0.395325 O\n0.059736 0.187754 0.895325 O\n0.559736 0.812246 0.604675 O\n0.217666 0.140578 0.738677 O\n0.717666 0.859422 0.761323 O\n0.782334 0.859422 0.261323 O\n0.282334 0.140578 0.238677 O\n0.632057 0.723264 0.007534 O\n0.132057 0.276736 0.492466 O\n0.367943 0.276736 0.992466 O\n0.867943 0.723264 0.507534 O\n",
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"formula_full": "Li12 P12 O36",
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"updated_at": "2021-11-28T01:35:06.691000Z",
"spacegroup": 14
},
{
"id": "mp-1112122",
"created_at": "2022-09-04T14:40:35.992922Z",
"structure_string": "Cs2 Rb1 Sb1 Cl6\n1.0\n0.000000 5.799249 5.799249\n5.799249 0.000000 5.799249\n5.799249 5.799249 0.000000\nCs Rb Sb Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Cs\n0.250000 0.250000 0.250000 Cs\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Sb\n0.770204 0.229796 0.229796 Cl\n0.229796 0.229796 0.770204 Cl\n0.229796 0.770204 0.770204 Cl\n0.229796 0.770204 0.229796 Cl\n0.770204 0.229796 0.770204 Cl\n0.770204 0.770204 0.229796 Cl\n",
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"Rb",
"Sb",
"Cl"
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"volume": 390.0724377863876,
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"formula_reduced": "Cs2RbSbCl6",
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{
"id": "mp-705404",
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"structure_string": "Li16 Fe12 P16 O60\n1.0\n6.503772 0.000000 0.000000\n0.000000 10.571203 0.000000\n0.000000 0.000000 17.601367\nLi Fe P O\n16 12 16 60\ndirect\n0.324108 0.480941 0.995481 Li\n0.324108 0.019059 0.495481 Li\n0.824108 0.980941 0.504519 Li\n0.436589 0.319095 0.594338 Li\n0.859012 0.759776 0.205402 Li\n0.703088 0.551914 0.534323 Li\n0.936589 0.819095 0.905662 Li\n0.203088 0.051914 0.965677 Li\n0.203088 0.448086 0.465677 Li\n0.824108 0.519059 0.004519 Li\n0.703088 0.948086 0.034323 Li\n0.859012 0.740224 0.705402 Li\n0.359012 0.240224 0.794598 Li\n0.436589 0.180905 0.094338 Li\n0.936589 0.680905 0.405662 Li\n0.359012 0.259776 0.294598 Li\n0.604558 0.499104 0.335599 Fe\n0.591929 0.493190 0.864251 Fe\n0.104558 0.500896 0.664401 Fe\n0.326454 0.757569 0.260307 Fe\n0.591929 0.006810 0.364251 Fe\n0.826454 0.257569 0.239693 Fe\n0.826454 0.242431 0.739693 Fe\n0.091929 0.993190 0.635749 Fe\n0.326454 0.742431 0.760307 Fe\n0.104558 0.999104 0.164401 Fe\n0.604558 0.000896 0.835599 Fe\n0.091929 0.506810 0.135749 Fe\n0.461147 0.744874 0.440226 P\n0.635749 0.274289 0.449779 P\n0.961147 0.244874 0.059774 P\n0.135749 0.774289 0.050221 P\n0.598700 0.504959 0.702582 P\n0.635749 0.225711 0.949779 P\n0.598700 0.995041 0.202582 P\n0.461147 0.755126 0.940226 P\n0.098700 0.495041 0.297418 P\n0.098700 0.004959 0.797418 P\n0.086068 0.016860 0.328091 P\n0.086068 0.483140 0.828091 P\n0.961147 0.255126 0.559774 P\n0.586068 0.983140 0.671909 P\n0.135749 0.725711 0.550221 P\n0.586068 0.516860 0.171909 P\n0.053477 0.124810 0.543973 O\n0.900645 0.002432 0.381108 O\n0.553477 0.624810 0.956027 O\n0.400645 0.502432 0.118892 O\n0.286728 0.035135 0.848279 O\n0.999627 0.629612 0.507782 O\n0.499627 0.129612 0.992218 O\n0.100402 0.897505 0.274803 O\n0.553477 0.875190 0.456027 O\n0.784716 0.258190 0.616907 O\n0.499627 0.370388 0.492218 O\n0.786728 0.535135 0.651721 O\n0.629275 0.645525 0.423117 O\n0.871241 0.194720 0.978224 O\n0.139354 0.697562 0.635859 O\n0.073232 0.115276 0.739085 O\n0.916120 0.985070 0.851435 O\n0.091187 0.863771 0.531716 O\n0.614434 0.385411 0.754871 O\n0.639354 0.302438 0.364141 O\n0.871241 0.305280 0.478224 O\n0.566554 0.629999 0.230604 O\n0.900645 0.497568 0.881108 O\n0.573232 0.615276 0.760915 O\n0.066554 0.370001 0.769396 O\n0.781289 0.958011 0.624802 O\n0.591187 0.136229 0.468284 O\n0.281289 0.458011 0.875198 O\n0.371241 0.694720 0.521776 O\n0.416120 0.485070 0.648565 O\n0.371241 0.805280 0.021776 O\n0.629275 0.854475 0.923117 O\n0.139354 0.802438 0.135859 O\n0.286728 0.464865 0.348279 O\n0.129275 0.354475 0.576883 O\n0.114434 0.885411 0.745129 O\n0.284716 0.758190 0.883093 O\n0.591187 0.363771 0.968284 O\n0.284716 0.741810 0.383093 O\n0.416120 0.014930 0.148565 O\n0.639354 0.197562 0.864141 O\n0.566554 0.870001 0.730604 O\n0.600402 0.397505 0.225197 O\n0.281289 0.041989 0.375198 O\n0.999627 0.870388 0.007782 O\n0.114434 0.614589 0.245129 O\n0.781289 0.541989 0.124802 O\n0.400645 0.997568 0.618892 O\n0.091187 0.636229 0.031716 O\n0.073232 0.384724 0.239085 O\n0.573232 0.884724 0.260915 O\n0.786728 0.964865 0.151721 O\n0.614434 0.114589 0.254871 O\n0.916120 0.514930 0.351435 O\n0.066554 0.129999 0.269396 O\n0.600402 0.102495 0.725197 O\n0.100402 0.602495 0.774803 O\n0.129275 0.145525 0.076883 O\n0.053477 0.375190 0.043973 O\n0.784716 0.241810 0.116907 O\n",
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"formula_full": "Li16 Fe12 P16 O60",
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{
"id": "mp-625199",
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"structure_string": "Sc2 H2 O4\n1.0\n3.401908 0.000000 0.000000\n0.602756 3.810330 0.000000\n1.044105 0.343447 7.087187\nSc H O\n2 2 4\ndirect\n0.588821 0.187845 0.683564 Sc\n0.434555 0.806805 0.306368 Sc\n0.028571 0.472481 0.486934 H\n0.019917 0.030807 0.975627 H\n0.284459 0.292035 0.431243 O\n0.705774 0.704919 0.572297 O\n0.058602 0.159344 0.841156 O\n0.957556 0.847857 0.163324 O\n",
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"volume": 91.86689684834319,
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"formula_full": "Sc2 H2 O4",
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{
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"structure_string": "Li8 Mn4 O8 F4\n1.0\n3.049652 0.096288 0.085025\n1.194945 2.331839 -14.457755\n0.161900 5.062676 0.090071\nLi Mn O F\n8 4 8 4\ndirect\n0.083898 0.833288 0.417029 Li\n0.582580 0.833475 0.917052 Li\n0.333035 0.333294 0.666444 Li\n0.833725 0.333298 0.166501 Li\n0.510348 0.993809 0.514894 Li\n0.008213 0.993931 0.014878 Li\n0.658416 0.672774 0.318780 Li\n0.156691 0.672869 0.818773 Li\n0.247009 0.502913 0.241563 Mn\n0.419904 0.163695 0.091505 Mn\n0.747002 0.502938 0.741520 Mn\n0.919860 0.163666 0.591565 Mn\n0.845623 0.242429 0.872919 O\n0.345667 0.242394 0.373026 O\n0.821105 0.424181 0.460115 O\n0.321061 0.424219 0.960024 O\n0.494389 0.084919 0.810116 O\n0.994351 0.084961 0.310017 O\n0.172411 0.581712 0.522940 O\n0.672350 0.581686 0.023006 O\n0.617881 0.753103 0.616408 F\n0.118028 0.753082 0.116537 F\n0.548077 0.913694 0.217112 F\n0.048376 0.913670 0.717276 F\n",
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{
"id": "mp-580062",
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"structure_string": "Bi8 Te9\n1.0\n4.473367 -0.000165 34.704810\n2.227327 3.879435 34.704810\n-0.000286 -0.000165 34.991926\nBi Te\n8 9\ndirect\n0.825388 0.825388 0.825388 Bi\n0.117620 0.117620 0.117620 Bi\n0.647499 0.647499 0.647499 Bi\n0.587875 0.587875 0.587875 Bi\n0.412125 0.412125 0.412125 Bi\n0.352501 0.352501 0.352501 Bi\n0.174612 0.174612 0.174612 Bi\n0.882380 0.882380 0.882380 Bi\n0.702110 0.702110 0.702110 Te\n0.532554 0.532554 0.532554 Te\n0.937442 0.937442 0.937442 Te\n0.297890 0.297890 0.297890 Te\n0.467446 0.467446 0.467446 Te\n0.765073 0.765073 0.765073 Te\n0.000000 0.000000 0.000000 Te\n0.234927 0.234927 0.234927 Te\n0.062558 0.062558 0.062558 Te\n",
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{
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"structure_string": "Li6 Mo12 O39\n1.0\n8.369702 -0.000857 -0.639797\n-1.206285 8.104595 -3.119164\n-0.016220 -0.025825 11.863426\nLi Mo O\n6 12 39\ndirect\n0.692124 0.036643 0.374893 Li\n0.307876 0.963357 0.625107 Li\n0.706392 0.476370 0.989341 Li\n0.293608 0.523630 0.010659 Li\n0.896442 0.012646 0.629518 Li\n0.103558 0.987354 0.370482 Li\n0.028299 0.837171 0.036382 Mo\n0.971701 0.162829 0.963618 Mo\n0.633891 0.854655 0.035042 Mo\n0.366109 0.145345 0.964958 Mo\n0.773273 0.677471 0.365686 Mo\n0.226727 0.322529 0.634314 Mo\n0.378745 0.696613 0.363109 Mo\n0.621255 0.303387 0.636891 Mo\n0.584143 0.671804 0.636638 Mo\n0.415857 0.328196 0.363362 Mo\n0.972646 0.653896 0.635284 Mo\n0.027354 0.346104 0.364716 Mo\n0.936166 0.077951 0.805207 O\n0.063834 0.922049 0.194793 O\n0.981496 0.708051 0.790604 O\n0.018504 0.291949 0.209396 O\n0.889175 0.194307 0.380672 O\n0.110825 0.805693 0.619328 O\n0.500000 0.000000 0.000000 O\n0.492842 0.675870 0.996382 O\n0.507158 0.324130 0.003618 O\n0.402855 0.187934 0.616312 O\n0.597145 0.812066 0.383688 O\n0.438970 0.466692 0.601302 O\n0.561030 0.533308 0.398698 O\n0.452695 0.782449 0.580844 O\n0.547305 0.217551 0.419156 O\n0.393610 0.235609 0.207143 O\n0.606390 0.764391 0.792857 O\n0.341132 0.622447 0.206218 O\n0.658868 0.377553 0.793782 O\n0.344821 0.062217 0.807273 O\n0.655179 0.937783 0.192727 O\n0.240904 0.419052 0.789113 O\n0.759096 0.580948 0.210887 O\n0.214417 0.236140 0.407680 O\n0.785583 0.763860 0.592320 O\n0.258726 0.510420 0.389489 O\n0.741274 0.489580 0.610511 O\n0.266764 0.860695 0.413648 O\n0.733236 0.139305 0.586352 O\n0.151714 0.001404 0.991562 O\n0.848286 0.998596 0.008438 O\n0.189270 0.285192 0.993547 O\n0.810730 0.714808 0.006453 O\n0.137087 0.672117 0.997757 O\n0.862913 0.327883 0.002243 O\n0.083673 0.145363 0.596845 O\n0.916327 0.854637 0.403155 O\n0.087484 0.463236 0.581926 O\n0.912516 0.536764 0.418074 O\n",
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"formula_full": "Li6 Mo12 O39",
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},
{
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{
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{
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{
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{
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"structure_string": "Mn11 Zn1 O16\n1.0\n4.169741 -4.756534 0.000000\n4.169741 4.756534 0.000000\n0.000000 0.000000 8.337303\nMn Zn O\n11 1 16\ndirect\n0.751917 0.000405 0.626967 Mn\n0.248083 0.999595 0.626967 Mn\n0.498067 0.248901 0.876587 Mn\n0.501933 0.751099 0.876587 Mn\n0.751099 0.501933 0.123413 Mn\n0.000000 0.500000 0.750543 Mn\n0.500000 0.000000 0.249457 Mn\n0.248901 0.498067 0.123413 Mn\n0.999595 0.248083 0.373033 Mn\n0.000405 0.751917 0.373033 Mn\n0.500000 0.500000 0.500000 Mn\n0.000000 0.000000 0.000000 Zn\n0.493260 0.226929 0.640456 O\n0.726757 0.493586 0.888137 O\n0.506740 0.773071 0.640456 O\n0.733691 0.994234 0.864730 O\n0.266309 0.005766 0.864730 O\n0.506414 0.273243 0.111863 O\n0.273243 0.506414 0.888137 O\n0.005766 0.266309 0.135270 O\n0.493586 0.726757 0.111863 O\n0.226929 0.493260 0.359544 O\n0.994234 0.733691 0.135270 O\n0.228632 0.994600 0.389821 O\n0.994600 0.228632 0.610179 O\n0.771368 0.005400 0.389821 O\n0.773071 0.506740 0.359544 O\n0.005400 0.771368 0.610179 O\n",
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]
}