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{
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{
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"structure_string": "Ce8 Se16\n1.0\n13.650136 0.000000 0.000000\n0.000000 13.650136 0.000000\n0.000000 0.000000 8.828666\nCe Se\n8 16\ndirect\n0.313832 0.071863 0.000000 Ce\n0.686168 0.928137 0.000000 Ce\n0.686168 0.071863 0.500000 Ce\n0.313832 0.928137 0.500000 Ce\n0.071863 0.313832 0.000000 Ce\n0.928137 0.686168 0.000000 Ce\n0.071863 0.686168 0.500000 Ce\n0.928137 0.313832 0.500000 Ce\n0.265186 0.265186 0.000000 Se\n0.734814 0.734814 0.000000 Se\n0.734814 0.265186 0.500000 Se\n0.265186 0.734814 0.500000 Se\n0.224893 0.000000 0.250000 Se\n0.775107 0.000000 0.250000 Se\n0.775107 0.000000 0.750000 Se\n0.224893 0.000000 0.750000 Se\n0.000000 0.224893 0.250000 Se\n0.000000 0.775107 0.250000 Se\n0.000000 0.775107 0.750000 Se\n0.000000 0.224893 0.750000 Se\n0.500000 0.000000 0.000000 Se\n0.500000 0.000000 0.500000 Se\n0.000000 0.500000 0.000000 Se\n0.000000 0.500000 0.500000 Se\n",
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{
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{
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"created_at": "2022-09-04T14:47:25.203817Z",
"structure_string": "Er4 Ta12 O36\n1.0\n6.471266 0.000000 0.000000\n0.000000 7.639951 0.000000\n0.000000 0.000000 12.610827\nEr Ta O\n4 12 36\ndirect\n0.055210 0.250000 0.461950 Er\n0.444790 0.750000 0.961950 Er\n0.555210 0.250000 0.038050 Er\n0.944790 0.750000 0.538050 Er\n0.000000 0.000000 0.000000 Ta\n0.000000 0.500000 0.000000 Ta\n0.207489 0.002671 0.713236 Ta\n0.207489 0.497329 0.713236 Ta\n0.292511 0.502671 0.213236 Ta\n0.292511 0.997329 0.213236 Ta\n0.500000 0.000000 0.500000 Ta\n0.500000 0.500000 0.500000 Ta\n0.707489 0.002671 0.786764 Ta\n0.707489 0.497329 0.786764 Ta\n0.792511 0.502671 0.286764 Ta\n0.792511 0.997329 0.286764 Ta\n0.017733 0.041291 0.843047 O\n0.017733 0.458709 0.843047 O\n0.082663 0.750000 0.975108 O\n0.100536 0.034935 0.333420 O\n0.100536 0.465065 0.333420 O\n0.169954 0.250000 0.671416 O\n0.204754 0.750000 0.698389 O\n0.206102 0.537811 0.536940 O\n0.206102 0.962189 0.536940 O\n0.293898 0.037811 0.036940 O\n0.293898 0.462189 0.036940 O\n0.295246 0.250000 0.198389 O\n0.330046 0.750000 0.171416 O\n0.399464 0.534935 0.833420 O\n0.399464 0.965065 0.833420 O\n0.417337 0.250000 0.475108 O\n0.482267 0.541291 0.343047 O\n0.482267 0.958709 0.343047 O\n0.517733 0.041291 0.656953 O\n0.517733 0.458709 0.656953 O\n0.582663 0.750000 0.524892 O\n0.600536 0.034935 0.166580 O\n0.600536 0.465065 0.166580 O\n0.669954 0.250000 0.828584 O\n0.704754 0.750000 0.801611 O\n0.706102 0.537811 0.963060 O\n0.706102 0.962189 0.963060 O\n0.793898 0.037811 0.463060 O\n0.793898 0.462189 0.463060 O\n0.795246 0.250000 0.301611 O\n0.830046 0.750000 0.328584 O\n0.899464 0.534935 0.666580 O\n0.899464 0.965065 0.666580 O\n0.917337 0.250000 0.024892 O\n0.982267 0.541291 0.156953 O\n0.982267 0.958709 0.156953 O\n",
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{
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{
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{
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"structure_string": "Li8 Mn8 F28\n1.0\n5.030520 0.000000 0.000000\n0.000000 7.810658 0.000000\n0.000000 2.602636 12.671814\nLi Mn F\n8 8 28\ndirect\n0.240338 0.970602 0.305544 Li\n0.755294 0.996716 0.117523 Li\n0.781187 0.605343 0.687448 Li\n0.283138 0.567938 0.849017 Li\n0.783138 0.432062 0.150983 Li\n0.281187 0.394657 0.312552 Li\n0.255294 0.003284 0.882477 Li\n0.740338 0.029398 0.694456 Li\n0.344863 0.816404 0.539953 Mn\n0.773202 0.730969 0.943807 Mn\n0.222038 0.747086 0.154210 Mn\n0.804572 0.634255 0.373819 Mn\n0.304572 0.365745 0.626181 Mn\n0.722038 0.252914 0.845790 Mn\n0.273202 0.269031 0.056193 Mn\n0.844863 0.183596 0.460047 Mn\n0.557122 0.953077 0.432810 F\n0.400324 0.021857 0.169738 F\n0.595356 0.834653 0.645018 F\n0.438953 0.781825 0.872811 F\n0.091826 0.799409 0.435931 F\n0.032751 0.903087 0.027011 F\n0.937372 0.858055 0.244440 F\n0.130455 0.666841 0.635160 F\n0.912462 0.626106 0.832690 F\n0.577395 0.733544 0.071517 F\n0.440706 0.665200 0.293825 F\n0.569100 0.587450 0.524107 F\n0.519400 0.426928 0.964883 F\n0.484639 0.471076 0.751708 F\n0.984639 0.528924 0.248292 F\n0.019400 0.573072 0.035117 F\n0.069100 0.412550 0.475893 F\n0.940706 0.334800 0.706175 F\n0.077395 0.266456 0.928483 F\n0.412462 0.373894 0.167310 F\n0.630455 0.333159 0.364840 F\n0.437372 0.141945 0.755560 F\n0.532751 0.096913 0.972989 F\n0.591826 0.200591 0.564069 F\n0.938953 0.218175 0.127189 F\n0.095356 0.165347 0.354982 F\n0.900324 0.978143 0.830262 F\n0.057122 0.046923 0.567190 F\n",
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"formula_full": "Li8 Mn8 F28",
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{
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"structure_string": "Na2 Li1 Y1 Cl6\n1.0\n0.000000 5.138332 5.138332\n5.138332 0.000000 5.138332\n5.138332 5.138332 0.000000\nNa Li Y Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Na\n0.250000 0.250000 0.250000 Na\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Y\n0.745352 0.254648 0.254648 Cl\n0.254648 0.254648 0.745352 Cl\n0.254648 0.745352 0.745352 Cl\n0.254648 0.745352 0.254648 Cl\n0.745352 0.254648 0.745352 Cl\n0.745352 0.745352 0.254648 Cl\n",
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"Y",
"Cl"
],
"chemical_system": "Cl-Li-Na-Y",
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"density_atomic": 0.03685560285055406,
"volume": 271.3291664377067,
"volume_molar": 16.339824325813375,
"formula_full": "Na2 Li1 Y1 Cl6",
"formula_reduced": "Na2LiYCl6",
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{
"id": "mp-1097724",
"created_at": "2022-09-04T14:47:25.249412Z",
"structure_string": "Na4 W4 O10\n1.0\n-2.840378 2.847875 7.880885\n2.840378 -2.847875 7.880885\n2.840378 2.847875 -7.880885\nNa W O\n4 4 10\ndirect\n0.630181 0.612667 0.026998 Na\n0.369819 0.396817 0.982486 Na\n0.085669 0.112667 0.982486 Na\n0.914331 0.896817 0.026998 Na\n0.500000 0.001915 0.501915 W\n0.000000 0.501915 0.501915 W\n0.601062 0.275693 0.376755 W\n0.398938 0.775693 0.674632 W\n0.775084 0.777438 0.502894 O\n0.224916 0.727810 0.002353 O\n0.774543 0.277438 0.002353 O\n0.225457 0.227810 0.502894 O\n0.539687 0.134125 0.409182 O\n0.460313 0.869495 0.594438 O\n0.224943 0.634125 0.594438 O\n0.775057 0.369495 0.409182 O\n0.709194 0.610174 0.819368 O\n0.290806 0.110174 0.900980 O\n",
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"formula_full": "Na4 W4 O10",
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},
{
"id": "mp-1103298",
"created_at": "2022-09-04T14:47:28.147249Z",
"structure_string": "Li2 H6 I2 N2\n1.0\n4.595772 0.000000 -1.324827\n0.000000 6.425927 0.000000\n0.034015 0.000000 7.625877\nLi H I N\n2 6 2 2\ndirect\n0.696485 0.741186 0.859757 Li\n0.303515 0.241186 0.140243 Li\n0.337569 0.528270 0.606696 H\n0.662431 0.028270 0.393304 H\n0.595123 0.381149 0.731945 H\n0.404877 0.881149 0.268055 H\n0.646829 0.507680 0.556928 H\n0.353171 0.007680 0.443072 H\n0.833832 0.486445 0.174669 I\n0.166168 0.986445 0.825331 I\n0.557931 0.520271 0.663796 N\n0.442069 0.020271 0.336204 N\n",
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],
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}
]
}