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{
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{
"id": "mp-758507",
"created_at": "2022-09-04T14:43:12.904865Z",
"structure_string": "Li8 Fe8 Si8 O32\n1.0\n5.137068 0.000000 0.000000\n0.000000 10.273592 0.000000\n0.000000 0.000000 13.456713\nLi Fe Si O\n8 8 8 32\ndirect\n0.909044 0.036160 0.496499 Li\n0.560284 0.215733 0.250666 Li\n0.560284 0.284267 0.750666 Li\n0.909044 0.463840 0.996499 Li\n0.090956 0.536160 0.496499 Li\n0.439716 0.715733 0.250666 Li\n0.439716 0.784267 0.750666 Li\n0.090956 0.963840 0.996499 Li\n0.069771 0.040477 0.246637 Fe\n0.554855 0.213897 0.000063 Fe\n0.554855 0.286103 0.500063 Fe\n0.069771 0.459523 0.746637 Fe\n0.930229 0.540477 0.246637 Fe\n0.445145 0.713897 0.000063 Fe\n0.445145 0.786103 0.500063 Fe\n0.930229 0.959523 0.746637 Fe\n0.425628 0.034530 0.624608 Si\n0.055638 0.212897 0.871968 Si\n0.055638 0.287103 0.371968 Si\n0.425628 0.465470 0.124608 Si\n0.574372 0.534530 0.624608 Si\n0.944362 0.712897 0.871968 Si\n0.944362 0.787103 0.371968 Si\n0.574372 0.965470 0.124608 Si\n0.890719 0.991381 0.128972 O\n0.541761 0.962829 0.524317 O\n0.434474 0.033206 0.222005 O\n0.005870 0.055229 0.864347 O\n0.489991 0.190810 0.619589 O\n0.901451 0.232554 0.470967 O\n0.943166 0.288218 0.772990 O\n0.367491 0.248362 0.880768 O\n0.367491 0.251638 0.380768 O\n0.943166 0.211782 0.272990 O\n0.901451 0.267446 0.970967 O\n0.489991 0.309190 0.119589 O\n0.005870 0.444771 0.364347 O\n0.434474 0.466794 0.722005 O\n0.541761 0.537171 0.024317 O\n0.890719 0.508619 0.628972 O\n0.109281 0.491381 0.128972 O\n0.458239 0.462829 0.524317 O\n0.565526 0.533206 0.222005 O\n0.994130 0.555229 0.864347 O\n0.510009 0.690810 0.619589 O\n0.098549 0.732554 0.470967 O\n0.056834 0.788218 0.772990 O\n0.632509 0.748362 0.880768 O\n0.632509 0.751638 0.380768 O\n0.056834 0.711782 0.272990 O\n0.098549 0.767446 0.970967 O\n0.510009 0.809190 0.119589 O\n0.994130 0.944771 0.364347 O\n0.565526 0.966794 0.722005 O\n0.458239 0.037171 0.024317 O\n0.109281 0.008619 0.628972 O\n",
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"formula_full": "Li8 Fe8 Si8 O32",
"formula_reduced": "LiFeSiO4",
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"updated_at": "2021-11-28T01:36:01.343000Z",
"spacegroup": 29
},
{
"id": "mp-18988",
"created_at": "2022-09-04T14:43:12.911378Z",
"structure_string": "Li8 Mn4 O12\n1.0\n-2.363137 -4.329997 0.831375\n-2.363135 4.329995 0.831373\n-4.713686 0.000001 -8.516698\nLi Mn O\n8 4 12\ndirect\n0.499999 0.500001 0.999999 Li\n0.000001 0.000000 0.500000 Li\n0.749998 0.749999 0.249996 Li\n0.250001 0.250001 0.750004 Li\n0.088603 0.411402 0.249996 Li\n0.588598 0.911397 0.750003 Li\n0.411402 0.088603 0.249997 Li\n0.911398 0.588600 0.750003 Li\n0.833116 0.166878 0.000002 Mn\n0.166873 0.833126 0.000006 Mn\n0.333119 0.666849 0.499998 Mn\n0.666896 0.333143 0.500000 Mn\n0.394777 0.394776 0.386265 O\n0.894772 0.894772 0.886267 O\n0.105229 0.105230 0.113732 O\n0.605223 0.605223 0.613733 O\n0.036543 0.679331 0.388142 O\n0.536538 0.179332 0.888141 O\n0.820665 0.463458 0.111858 O\n0.320672 0.963457 0.611858 O\n0.463456 0.820667 0.111859 O\n0.963459 0.320672 0.611858 O\n0.679329 0.036542 0.388141 O\n0.179331 0.536542 0.888143 O\n",
"nsites": 24,
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"elements": [
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"chemical_system": "Li-Mn-O",
"density": 3.7263047286425244,
"density_atomic": 0.1152576719413673,
"volume": 208.22908875175818,
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"formula_full": "Li8 Mn4 O12",
"formula_reduced": "Li2MnO3",
"formula_anonymous": "AB2C3",
"energy": -163.61768168,
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{
"id": "mp-781054",
"created_at": "2022-09-04T14:43:12.826479Z",
"structure_string": "Li6 Cr12 O39\n1.0\n7.761455 0.000000 0.000000\n-0.575990 8.221871 0.000000\n-3.728483 -1.373314 11.580321\nLi Cr O\n6 12 39\ndirect\n0.772170 0.114822 0.623631 Li\n0.190133 0.087127 0.632505 Li\n0.295776 0.512116 0.006704 Li\n0.704224 0.487884 0.993296 Li\n0.809867 0.912873 0.367495 Li\n0.227830 0.885178 0.376369 Li\n0.957450 0.163039 0.955282 Cr\n0.352911 0.155679 0.958590 Cr\n0.524919 0.217218 0.353381 Cr\n0.134820 0.235180 0.360298 Cr\n0.512548 0.429186 0.652001 Cr\n0.115648 0.440453 0.643758 Cr\n0.884352 0.559547 0.356242 Cr\n0.487452 0.570814 0.347999 Cr\n0.865180 0.764820 0.639702 Cr\n0.475081 0.782782 0.646619 Cr\n0.647089 0.844321 0.041410 Cr\n0.042550 0.836961 0.044718 Cr\n0.148459 0.006218 0.994241 O\n0.882231 0.138236 0.816153 O\n0.500000 0.000000 0.000000 O\n0.671783 0.090022 0.408105 O\n0.284251 0.123289 0.819688 O\n0.334007 0.115001 0.389295 O\n0.024096 0.084862 0.398412 O\n0.972672 0.276373 0.617046 O\n0.463047 0.181658 0.215748 O\n0.605711 0.285094 0.598134 O\n0.286033 0.310185 0.611419 O\n0.059684 0.226289 0.223762 O\n0.865709 0.314418 0.001151 O\n0.584836 0.440205 0.790447 O\n0.181496 0.283106 0.989133 O\n0.499746 0.318031 0.996139 O\n0.671127 0.411123 0.386664 O\n0.371898 0.392352 0.385099 O\n0.034918 0.408134 0.411333 O\n0.184327 0.486444 0.780599 O\n0.815673 0.513556 0.219401 O\n0.965082 0.591866 0.588667 O\n0.628102 0.607648 0.614901 O\n0.328873 0.588877 0.613336 O\n0.500254 0.681969 0.003861 O\n0.818504 0.716894 0.010867 O\n0.415164 0.559795 0.209553 O\n0.134291 0.685582 0.998849 O\n0.940316 0.773711 0.776238 O\n0.713967 0.689815 0.388581 O\n0.394289 0.714906 0.401866 O\n0.536953 0.818342 0.784252 O\n0.027328 0.723627 0.382954 O\n0.975904 0.915138 0.601588 O\n0.665993 0.884999 0.610705 O\n0.715749 0.876711 0.180312 O\n0.328217 0.909978 0.591895 O\n0.117769 0.861764 0.183847 O\n0.851541 0.993782 0.005759 O\n",
"nsites": 57,
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],
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"volume": 738.9829192309439,
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"formula_full": "Li6 Cr12 O39",
"formula_reduced": "Li2Cr4O13",
"formula_anonymous": "A2B4C13",
"energy": -414.44872122,
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"updated_at": "2021-11-28T01:36:05.714000Z",
"spacegroup": 2
},
{
"id": "mp-20615",
"created_at": "2022-09-04T14:43:12.829061Z",
"structure_string": "Eu4 Ge4 Pd4\n1.0\n6.070028 0.000000 0.000000\n0.000000 6.195579 0.000000\n0.000000 3.633857 7.165090\nEu Ge Pd\n4 4 4\ndirect\n0.365310 0.201786 0.617887 Eu\n0.865310 0.798214 0.882113 Eu\n0.634690 0.798214 0.382113 Eu\n0.134690 0.201786 0.117887 Eu\n0.365746 0.770723 0.049426 Ge\n0.865746 0.229277 0.450574 Ge\n0.634254 0.229277 0.950574 Ge\n0.134254 0.770723 0.549426 Ge\n0.101618 0.609717 0.312699 Pd\n0.601618 0.390283 0.187301 Pd\n0.898382 0.390283 0.687301 Pd\n0.398382 0.609717 0.812699 Pd\n",
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],
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"volume": 269.45996147492957,
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"formula_full": "Eu4 Ge4 Pd4",
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{
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"structure_string": "Si6\n1.0\n-3.366008 3.366008 3.366008\n3.366008 -3.366008 3.366008\n3.366008 3.366008 -3.366008\nSi\n6\ndirect\n0.750000 0.250000 0.500000 Si\n0.750000 0.500000 0.250000 Si\n0.500000 0.250000 0.750000 Si\n0.250000 0.500000 0.750000 Si\n0.250000 0.750000 0.500000 Si\n0.500000 0.750000 0.250000 Si\n",
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"formula_full": "Si6",
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{
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"structure_string": "Tc1 N2\n1.0\n0.000000 2.444549 2.444549\n2.444549 0.000000 2.444549\n2.444549 2.444549 0.000000\nTc N\n1 2\ndirect\n0.000000 0.000000 0.000000 Tc\n0.750000 0.750000 0.750000 N\n0.250000 0.250000 0.250000 N\n",
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{
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{
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{
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"structure_string": "U2 Ge1 S2\n1.0\n8.682045 0.000000 0.000000\n0.000000 8.682045 0.000000\n0.000000 0.000000 27.793482\nU Ge S\n2 1 2\ndirect\n0.500000 0.500000 0.286260 U\n0.500000 0.500000 0.713740 U\n0.500000 0.500000 0.000000 Ge\n0.500000 0.500000 0.629342 S\n0.500000 0.500000 0.370658 S\n",
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{
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{
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}