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{
"id": "mp-1026362",
"created_at": "2022-09-04T14:48:28.744801Z",
"structure_string": "Te4 W3 S2\n1.0\n1.711752 -2.964841 0.000000\n1.711752 2.964841 0.000000\n0.000000 0.000000 31.698220\nTe W S\n4 3 2\ndirect\n0.333333 0.666667 0.709623 Te\n0.333333 0.666667 0.172251 Te\n0.333333 0.666667 0.827749 Te\n0.333333 0.666667 0.290377 Te\n0.000000 0.000000 0.768670 W\n0.000000 0.000000 0.231330 W\n0.333333 0.666667 0.000000 W\n0.000000 0.000000 0.047317 S\n0.000000 0.000000 0.952683 S\n",
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{
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"structure_string": "Cs8 Hg4 Br16\n1.0\n10.502378 0.000000 0.000000\n0.000000 8.159137 0.000000\n0.000000 8.127248 14.448223\nCs Hg Br\n8 4 16\ndirect\n0.381930 0.841948 0.398955 Cs\n0.618070 0.158052 0.601045 Cs\n0.118070 0.841948 0.898955 Cs\n0.881930 0.158052 0.101045 Cs\n0.515878 0.410235 0.829099 Cs\n0.484122 0.589765 0.170901 Cs\n0.984122 0.410235 0.329099 Cs\n0.015878 0.589765 0.670901 Cs\n0.277036 0.177278 0.075863 Hg\n0.722964 0.822722 0.924137 Hg\n0.222964 0.177278 0.575863 Hg\n0.777036 0.822722 0.424137 Hg\n0.528592 0.155508 0.088881 Br\n0.471408 0.844492 0.911119 Br\n0.971408 0.155508 0.588881 Br\n0.028592 0.844492 0.411119 Br\n0.176305 0.304647 0.907474 Br\n0.823695 0.695353 0.092526 Br\n0.323695 0.304647 0.407474 Br\n0.676305 0.695353 0.592526 Br\n0.175139 0.397019 0.136614 Br\n0.824861 0.602981 0.863386 Br\n0.324861 0.397019 0.636614 Br\n0.675139 0.602981 0.363386 Br\n0.186395 0.829385 0.182256 Br\n0.813605 0.170615 0.817744 Br\n0.313605 0.829385 0.682256 Br\n0.686395 0.170615 0.317744 Br\n",
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"spacegroup": 14
},
{
"id": "mp-1235771",
"created_at": "2022-09-04T14:48:28.741688Z",
"structure_string": "Li1 Al4 Tl4 O12\n1.0\n5.268762 -0.142652 -0.085609\n-0.152760 5.463488 0.363197\n-0.121678 0.512688 8.547735\nLi Al Tl O\n1 4 4 12\ndirect\n0.448091 0.291220 0.112806 Li\n0.955283 0.480619 0.985921 Al\n0.977607 0.520427 0.550574 Al\n0.528411 0.942205 0.944641 Al\n0.493627 0.042779 0.517088 Al\n0.022872 0.010670 0.755204 Tl\n0.467493 0.507516 0.758228 Tl\n0.476754 0.619729 0.304120 Tl\n0.966774 0.086957 0.287329 Tl\n0.113746 0.448022 0.182643 O\n0.227387 0.254163 0.566216 O\n0.303885 0.202562 0.922130 O\n0.212249 0.733318 0.917679 O\n0.270256 0.734668 0.564076 O\n0.395250 0.033586 0.302759 O\n0.610925 0.970789 0.733672 O\n0.775693 0.153840 0.035750 O\n0.736286 0.309263 0.464720 O\n0.673250 0.651400 0.019590 O\n0.797060 0.802405 0.465268 O\n0.884601 0.466362 0.759585 O\n",
"nsites": 21,
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"elements": [
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"chemical_system": "Al-Li-O-Tl",
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"formula_full": "Li1 Al4 Tl4 O12",
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{
"id": "mp-866816",
"created_at": "2022-09-04T14:48:28.740162Z",
"structure_string": "Ca1 Sn1 S3\n1.0\n5.011115 0.000000 0.000000\n0.000000 5.011115 0.000000\n0.000000 0.000000 5.011115\nCa Sn S\n1 1 3\ndirect\n0.500000 0.500000 0.500000 Ca\n0.000000 0.000000 0.000000 Sn\n0.000000 0.000000 0.500000 S\n0.000000 0.500000 0.000000 S\n0.500000 0.000000 0.000000 S\n",
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"density": 3.3647841962276615,
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"volume": 125.83547952155797,
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"formula_full": "Ca1 Sn1 S3",
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{
"id": "mp-755514",
"created_at": "2022-09-04T14:48:28.727114Z",
"structure_string": "Li10 Mn4 Fe6 O20\n1.0\n-1.171625 5.156091 -0.032207\n-2.865808 2.583375 7.194979\n10.211829 0.131099 0.000501\nLi Mn Fe O\n10 4 6 20\ndirect\n0.999992 0.500011 0.250009 Li\n0.999974 0.499969 0.749973 Li\n0.506014 0.418851 0.104193 Li\n0.505995 0.418850 0.604209 Li\n0.494041 0.581147 0.395790 Li\n0.493969 0.581128 0.895782 Li\n0.515167 0.763404 0.188874 Li\n0.515233 0.763648 0.688897 Li\n0.484801 0.236379 0.311106 Li\n0.484804 0.236576 0.811096 Li\n0.009535 0.688691 0.548036 Mn\n0.990507 0.311409 0.452114 Mn\n0.009178 0.688726 0.047779 Mn\n0.990916 0.311217 0.952209 Mn\n0.500081 0.000050 0.000009 Fe\n0.004324 0.888850 0.346410 Fe\n0.995701 0.111122 0.653572 Fe\n0.499963 0.999985 0.499962 Fe\n0.004320 0.888938 0.846515 Fe\n0.995600 0.111066 0.153525 Fe\n0.257564 0.867096 0.022526 O\n0.257601 0.867142 0.522561 O\n0.742421 0.132864 0.477480 O\n0.742416 0.132881 0.977440 O\n0.780966 0.939467 0.165329 O\n0.781013 0.939601 0.665480 O\n0.218968 0.060428 0.334560 O\n0.219019 0.060502 0.834616 O\n0.765330 0.535867 0.067218 O\n0.765256 0.535936 0.567262 O\n0.234713 0.464121 0.432807 O\n0.234640 0.464124 0.932728 O\n0.232781 0.232940 0.117433 O\n0.232692 0.233017 0.617479 O\n0.767311 0.766949 0.382547 O\n0.767201 0.767060 0.882526 O\n0.239526 0.664252 0.221046 O\n0.239685 0.664388 0.721240 O\n0.760368 0.335636 0.278804 O\n0.760417 0.335710 0.778858 O\n",
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"formula_full": "Li10 Mn4 Fe6 O20",
"formula_reduced": "Li5Mn2Fe3O10",
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{
"id": "mp-753580",
"created_at": "2022-09-04T14:48:28.724420Z",
"structure_string": "Li4 Ti4 Si4 O16\n1.0\n4.980980 0.000000 0.000000\n0.000000 6.102749 0.000000\n0.000000 0.000000 9.360387\nLi Ti Si O\n4 4 4 16\ndirect\n0.480250 0.750000 0.169626 Li\n0.980250 0.250000 0.330374 Li\n0.019750 0.750000 0.669626 Li\n0.519750 0.250000 0.830374 Li\n0.000000 0.000000 0.000000 Ti\n0.000000 0.500000 0.000000 Ti\n0.500000 0.000000 0.500000 Ti\n0.500000 0.500000 0.500000 Ti\n0.475431 0.250000 0.177562 Si\n0.975431 0.750000 0.322438 Si\n0.024569 0.250000 0.677562 Si\n0.524569 0.750000 0.822438 Si\n0.798427 0.250000 0.129076 O\n0.327922 0.031495 0.115535 O\n0.327922 0.468505 0.115535 O\n0.901326 0.750000 0.147175 O\n0.401326 0.250000 0.352825 O\n0.827922 0.968505 0.384465 O\n0.827922 0.531495 0.384465 O\n0.298427 0.750000 0.370924 O\n0.701573 0.250000 0.629076 O\n0.172078 0.031495 0.615535 O\n0.172078 0.468505 0.615535 O\n0.598674 0.750000 0.647175 O\n0.098674 0.250000 0.852825 O\n0.672078 0.531495 0.884465 O\n0.672078 0.968505 0.884465 O\n0.201573 0.750000 0.870924 O\n",
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"formula_full": "Li4 Ti4 Si4 O16",
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{
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"structure_string": "Hf20 Co4 As12\n1.0\n3.680501 0.000000 0.000000\n0.000000 10.455169 0.000000\n0.000000 0.000000 17.417940\nHf Co As\n20 4 12\ndirect\n0.250000 0.184700 0.368033 Hf\n0.750000 0.815300 0.631967 Hf\n0.750000 0.684700 0.131967 Hf\n0.250000 0.315300 0.868033 Hf\n0.250000 0.879594 0.478144 Hf\n0.750000 0.120406 0.521856 Hf\n0.750000 0.379594 0.021856 Hf\n0.250000 0.620406 0.978144 Hf\n0.250000 0.943232 0.077314 Hf\n0.750000 0.056768 0.922686 Hf\n0.750000 0.443232 0.422686 Hf\n0.250000 0.556768 0.577314 Hf\n0.250000 0.241921 0.166938 Hf\n0.750000 0.758079 0.833062 Hf\n0.750000 0.741921 0.333062 Hf\n0.250000 0.258079 0.666938 Hf\n0.250000 0.515973 0.276192 Hf\n0.750000 0.484027 0.723808 Hf\n0.750000 0.015973 0.223808 Hf\n0.250000 0.984027 0.776192 Hf\n0.250000 0.631326 0.408377 Co\n0.750000 0.368674 0.591623 Co\n0.750000 0.131326 0.091623 Co\n0.250000 0.868674 0.908377 Co\n0.250000 0.491198 0.118844 As\n0.750000 0.508802 0.881156 As\n0.750000 0.991198 0.381156 As\n0.250000 0.008802 0.618844 As\n0.250000 0.814714 0.219309 As\n0.750000 0.185286 0.780691 As\n0.750000 0.314714 0.280691 As\n0.250000 0.685286 0.719309 As\n0.250000 0.188723 0.007301 As\n0.750000 0.811277 0.992699 As\n0.750000 0.688723 0.492699 As\n0.250000 0.311277 0.507301 As\n",
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{
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"structure_string": "La1 N1\n1.0\n3.170583 0.000000 0.000000\n0.000000 3.170583 0.000000\n0.000000 0.000000 3.170583\nLa N\n1 1\ndirect\n0.000000 0.000000 0.000000 La\n0.500000 0.500000 0.500000 N\n",
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{
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"structure_string": "Mg6 Si6\n1.0\n2.142817 6.055240 0.000000\n-2.142817 6.055240 0.000000\n0.000000 2.251937 8.719693\nMg Si\n6 6\ndirect\n0.356132 0.356132 0.508027 Mg\n0.251807 0.251807 0.166065 Mg\n0.469891 0.469891 0.831925 Mg\n0.748193 0.748193 0.833935 Mg\n0.530109 0.530109 0.168075 Mg\n0.643868 0.643868 0.491973 Mg\n0.958681 0.958681 0.635279 Si\n0.894618 0.894618 0.027557 Si\n0.041319 0.041319 0.364721 Si\n0.856101 0.856101 0.301682 Si\n0.143899 0.143899 0.698318 Si\n0.105382 0.105382 0.972443 Si\n",
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{
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"updated_at": "2021-11-28T01:39:24.237000Z",
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},
{
"id": "mp-1212422",
"created_at": "2022-09-04T14:48:28.706631Z",
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{
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]
}