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{
"id": "mp-1520136",
"created_at": "2022-09-04T14:47:58.430146Z",
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"updated_at": "2021-11-28T01:38:24.327000Z",
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{
"id": "mp-1200518",
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"structure_string": "In2 Re8 C28 I6 O28\n1.0\n6.042723 8.273264 0.000000\n-6.042723 8.273264 0.000000\n0.000000 7.181120 14.886873\nIn Re C I O\n2 8 28 6 28\ndirect\n0.600271 0.399729 0.250000 In\n0.399729 0.600271 0.750000 In\n0.833587 0.234569 0.328359 Re\n0.765431 0.166413 0.171641 Re\n0.166413 0.765431 0.671641 Re\n0.234569 0.833587 0.828359 Re\n0.301559 0.496930 0.313384 Re\n0.503070 0.698441 0.186616 Re\n0.698441 0.503070 0.686616 Re\n0.496930 0.301559 0.813384 Re\n0.956042 0.363414 0.229761 C\n0.636586 0.043958 0.270239 C\n0.043958 0.636586 0.770239 C\n0.363414 0.956042 0.729761 C\n0.724070 0.383864 0.386645 C\n0.616136 0.275930 0.113355 C\n0.275930 0.616136 0.613355 C\n0.383864 0.724070 0.886645 C\n0.714031 0.101305 0.423806 C\n0.898695 0.285969 0.076194 C\n0.285969 0.898695 0.576194 C\n0.101305 0.714031 0.923806 C\n0.960807 0.183062 0.403618 C\n0.816938 0.039193 0.096382 C\n0.039193 0.816938 0.596382 C\n0.183062 0.960807 0.903618 C\n0.100380 0.508596 0.372147 C\n0.491404 0.899620 0.127853 C\n0.899620 0.491404 0.627853 C\n0.508596 0.100380 0.872147 C\n0.303167 0.336803 0.278884 C\n0.663197 0.696833 0.221116 C\n0.696833 0.663197 0.721116 C\n0.336803 0.303167 0.778884 C\n0.346079 0.373836 0.422437 C\n0.626164 0.653921 0.077563 C\n0.653921 0.626164 0.577563 C\n0.373836 0.346079 0.922437 C\n0.989273 0.010727 0.250000 I\n0.010727 0.989273 0.750000 I\n0.254019 0.690554 0.150168 I\n0.309446 0.745981 0.349832 I\n0.745981 0.309446 0.849832 I\n0.690554 0.254019 0.650168 I\n0.026431 0.439009 0.174165 O\n0.560991 0.973569 0.325835 O\n0.973569 0.560991 0.825835 O\n0.439009 0.026431 0.674165 O\n0.658889 0.468793 0.425698 O\n0.531207 0.341111 0.074302 O\n0.341111 0.531207 0.574302 O\n0.468793 0.658889 0.925698 O\n0.651551 0.022998 0.482950 O\n0.977002 0.348449 0.017050 O\n0.348449 0.977002 0.517050 O\n0.022998 0.651551 0.982950 O\n0.037160 0.156640 0.447879 O\n0.843360 0.962840 0.052121 O\n0.962840 0.843360 0.552121 O\n0.156640 0.037160 0.947879 O\n0.978504 0.515457 0.405937 O\n0.484543 0.021496 0.094063 O\n0.021496 0.484543 0.594063 O\n0.515457 0.978504 0.905937 O\n0.300941 0.237444 0.260062 O\n0.762556 0.699059 0.239938 O\n0.699059 0.762556 0.739938 O\n0.237444 0.300941 0.760062 O\n0.371487 0.296537 0.489049 O\n0.703463 0.628513 0.010951 O\n0.628513 0.703463 0.510951 O\n0.296537 0.371487 0.989049 O\n",
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"formula_full": "In2 Re8 C28 I6 O28",
"formula_reduced": "InRe4C14I3O14",
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"spacegroup": 15
},
{
"id": "mp-1519990",
"created_at": "2022-09-04T14:44:56.209478Z",
"structure_string": "Sr1 Ca1 Sm1 Nb1 O6\n1.0\n-0.000000 -4.260433 -4.260433\n4.260433 -0.000000 -4.260433\n4.260433 -4.260433 0.000000\nSr Ca Sm Nb O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Sr\n0.750000 0.750000 0.750000 Ca\n0.500000 0.500000 0.500000 Sm\n0.000000 0.000000 -0.000000 Nb\n0.765061 0.234939 0.234939 O\n0.234939 0.765061 0.765061 O\n0.765061 0.234939 0.765061 O\n0.234939 0.765061 0.234939 O\n0.765061 0.765061 0.234939 O\n0.234939 0.234939 0.765061 O\n",
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"formula_full": "Sr1 Ca1 Sm1 Nb1 O6",
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{
"id": "mp-758656",
"created_at": "2022-09-04T14:45:04.168497Z",
"structure_string": "Li4 Mn14 O24\n1.0\n9.011227 0.000000 0.000000\n0.000000 5.228864 0.000000\n0.000000 2.043171 9.797653\nLi Mn O\n4 14 24\ndirect\n0.911111 0.492668 0.269207 Li\n0.580791 0.747254 0.499012 Li\n0.411111 0.507332 0.730793 Li\n0.080791 0.252746 0.500988 Li\n0.916230 0.238705 0.014037 Mn\n0.923426 0.757303 0.503474 Mn\n0.744416 0.241310 0.511210 Mn\n0.741139 0.998264 0.262953 Mn\n0.747706 0.756826 0.993366 Mn\n0.583058 0.256255 0.989512 Mn\n0.756778 0.505403 0.742758 Mn\n0.423426 0.242697 0.496526 Mn\n0.416230 0.761295 0.985963 Mn\n0.247706 0.243174 0.006634 Mn\n0.241139 0.001736 0.737047 Mn\n0.244416 0.758690 0.488790 Mn\n0.256778 0.494597 0.257242 Mn\n0.083058 0.743745 0.010488 Mn\n0.897345 0.119590 0.399083 O\n0.884180 0.876822 0.118436 O\n0.770823 0.841330 0.622110 O\n0.917513 0.607758 0.914861 O\n0.742752 0.166276 0.878786 O\n0.895034 0.402418 0.611706 O\n0.596025 0.124792 0.398827 O\n0.770531 0.662792 0.382674 O\n0.581241 0.888324 0.085839 O\n0.762197 0.336206 0.130633 O\n0.607392 0.609295 0.876998 O\n0.581358 0.370299 0.605089 O\n0.384180 0.123178 0.881564 O\n0.397345 0.880410 0.600917 O\n0.270823 0.158670 0.377890 O\n0.395034 0.597582 0.388294 O\n0.242752 0.833724 0.121214 O\n0.417513 0.392242 0.085139 O\n0.081241 0.111676 0.914161 O\n0.270531 0.337208 0.617326 O\n0.096025 0.875208 0.601173 O\n0.262197 0.663794 0.869367 O\n0.081358 0.629701 0.394911 O\n0.107392 0.390705 0.123002 O\n",
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"formula_full": "Li4 Mn14 O24",
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{
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"created_at": "2022-09-04T14:46:04.951717Z",
"structure_string": "Li8 Ti8 V2 Fe8 O36\n1.0\n2.952096 0.000000 0.000000\n0.000000 9.239694 0.000000\n0.000000 0.000000 25.468732\nLi Ti V Fe O\n8 8 2 8 36\ndirect\n0.000000 0.197698 0.488711 Li\n0.000000 0.196138 0.684057 Li\n0.000000 0.303862 0.184057 Li\n0.000000 0.302302 0.988711 Li\n0.000000 0.697698 0.011289 Li\n0.000000 0.696138 0.815943 Li\n0.000000 0.803862 0.315943 Li\n0.000000 0.802302 0.511289 Li\n0.000000 0.999088 0.599715 Ti\n0.500000 0.158274 0.309795 Ti\n0.500000 0.341726 0.809795 Ti\n0.000000 0.500912 0.099715 Ti\n0.000000 0.499088 0.900285 Ti\n0.500000 0.658274 0.190205 Ti\n0.500000 0.841726 0.690205 Ti\n0.000000 0.000912 0.400285 Ti\n0.000000 0.000000 0.000000 V\n0.000000 0.500000 0.500000 V\n0.000000 0.999167 0.805673 Fe\n0.500000 0.151477 0.086139 Fe\n0.500000 0.348523 0.586139 Fe\n0.000000 0.500833 0.305673 Fe\n0.000000 0.499167 0.694327 Fe\n0.500000 0.651477 0.413861 Fe\n0.500000 0.848523 0.913861 Fe\n0.000000 0.000833 0.194327 Fe\n0.000000 0.992878 0.925564 O\n0.000000 0.007122 0.074436 O\n0.500000 0.061567 0.443240 O\n0.500000 0.043319 0.655913 O\n0.500000 0.127391 0.164926 O\n0.000000 0.102216 0.261428 O\n0.500000 0.147924 0.003280 O\n0.500000 0.139153 0.791454 O\n0.000000 0.186990 0.358515 O\n0.000000 0.198903 0.582682 O\n0.000000 0.301097 0.082682 O\n0.000000 0.313010 0.858515 O\n0.500000 0.360847 0.291454 O\n0.500000 0.352076 0.503280 O\n0.000000 0.397784 0.761428 O\n0.500000 0.372609 0.664926 O\n0.500000 0.456681 0.155913 O\n0.500000 0.438433 0.943240 O\n0.000000 0.492878 0.574436 O\n0.000000 0.507122 0.425564 O\n0.500000 0.561567 0.056760 O\n0.500000 0.543319 0.844087 O\n0.500000 0.627391 0.335074 O\n0.000000 0.602216 0.238572 O\n0.500000 0.647924 0.496720 O\n0.500000 0.639153 0.708546 O\n0.000000 0.686990 0.141485 O\n0.000000 0.698903 0.917318 O\n0.000000 0.801097 0.417318 O\n0.000000 0.813010 0.641485 O\n0.500000 0.860847 0.208546 O\n0.500000 0.852076 0.996720 O\n0.000000 0.897784 0.738572 O\n0.500000 0.872609 0.835074 O\n0.500000 0.956681 0.344087 O\n0.500000 0.938433 0.556760 O\n",
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"formula_full": "Li8 Ti8 V2 Fe8 O36",
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{
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"structure_string": "Sr1 Ca1 Nb1 Fe1 O6\n1.0\n0.000000 -4.002216 -4.002216\n4.002216 0.000000 -4.002216\n4.002216 -4.002216 0.000000\nSr Ca Nb Fe O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Sr\n0.250000 0.250000 0.250000 Ca\n0.500000 0.500000 0.500000 Nb\n0.000000 0.000000 0.000000 Fe\n0.749683 0.250317 0.250317 O\n0.250317 0.749683 0.749683 O\n0.749683 0.250317 0.749683 O\n0.250317 0.749683 0.250317 O\n0.749683 0.749683 0.250317 O\n0.250317 0.250317 0.749683 O\n",
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"volume": 128.212853877508,
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"formula_full": "Sr1 Ca1 Nb1 Fe1 O6",
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{
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"structure_string": "Li1 Mn3 Cr1 O8\n1.0\n5.133798 -2.916815 0.000000\n5.133798 2.916815 0.000000\n3.476583 0.000000 4.772532\nLi Mn Cr O\n1 3 1 8\ndirect\n0.123034 0.123034 0.123034 Li\n0.997169 0.500898 0.500898 Mn\n0.500898 0.997169 0.500898 Mn\n0.500898 0.500898 0.997169 Mn\n0.500735 0.500735 0.500735 Cr\n0.735130 0.735130 0.735130 O\n0.740330 0.740330 0.295297 O\n0.295297 0.740330 0.740330 O\n0.740330 0.295297 0.740330 O\n0.709134 0.259430 0.259430 O\n0.259430 0.709134 0.259430 O\n0.259430 0.259430 0.709134 O\n0.263185 0.263185 0.263185 O\n",
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{
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{
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