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{
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{
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{
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"created_at": "2022-09-04T14:47:29.914490Z",
"structure_string": "Sm6 Ga2 Ni2 S14\n1.0\n4.874335 -8.442595 0.000000\n4.874335 8.442595 0.000000\n0.000000 0.000000 6.186483\nSm Ga Ni S\n6 2 2 14\ndirect\n0.154524 0.374213 0.321479 Sm\n0.219688 0.845476 0.321479 Sm\n0.625787 0.780312 0.321479 Sm\n0.845476 0.625787 0.821479 Sm\n0.780312 0.154524 0.821479 Sm\n0.374213 0.219688 0.821479 Sm\n0.666667 0.333333 0.395110 Ga\n0.333333 0.666667 0.895110 Ga\n0.000000 0.000000 0.005923 Ni\n0.000000 0.000000 0.505923 Ni\n0.432509 0.520528 0.048533 S\n0.088018 0.567491 0.048533 S\n0.479472 0.911982 0.048533 S\n0.567491 0.479472 0.548533 S\n0.911982 0.432509 0.548533 S\n0.520528 0.088018 0.548533 S\n0.666667 0.333333 0.030428 S\n0.333333 0.666667 0.530428 S\n0.868419 0.096647 0.240947 S\n0.228228 0.131581 0.240947 S\n0.903353 0.771772 0.240947 S\n0.131581 0.903353 0.740947 S\n0.771772 0.868419 0.740947 S\n0.096647 0.228228 0.740947 S\n",
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},
{
"id": "mp-1104976",
"created_at": "2022-09-04T14:47:30.713221Z",
"structure_string": "Mn1 Re2 H2 O10\n1.0\n0.106545 0.000000 -5.585982\n0.000000 -5.872932 0.000000\n-6.780532 2.936466 2.768192\nMn Re H O\n1 2 2 10\ndirect\n0.000000 0.500000 0.000000 Mn\n0.855326 0.133320 0.266640 Re\n0.144674 0.866680 0.733360 Re\n0.653062 0.323163 0.646326 H\n0.346938 0.676837 0.353674 H\n0.851913 0.816887 0.125625 O\n0.851913 0.308738 0.125625 O\n0.148087 0.183113 0.874375 O\n0.148087 0.691262 0.874375 O\n0.586183 0.165228 0.330456 O\n0.413817 0.834772 0.669544 O\n0.133474 0.242127 0.484254 O\n0.866526 0.757873 0.515746 O\n0.678889 0.393993 0.787986 O\n0.321111 0.606007 0.212014 O\n",
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{
"id": "mp-554960",
"created_at": "2022-09-04T14:47:22.248226Z",
"structure_string": "K2 Mo2 P2 Cl2 O10\n1.0\n6.553814 0.000000 0.000000\n0.000000 6.553814 0.000000\n0.000000 0.000000 7.430119\nK Mo P Cl O\n2 2 2 2 10\ndirect\n0.000000 0.000000 0.500000 K\n0.500000 0.500000 0.500000 K\n0.500000 0.000000 0.095273 Mo\n0.000000 0.500000 0.904727 Mo\n0.500000 0.500000 0.000000 P\n0.000000 0.000000 0.000000 P\n0.000000 0.500000 0.554955 Cl\n0.500000 0.000000 0.445045 Cl\n0.500000 0.313727 0.128443 O\n0.000000 0.813727 0.871557 O\n0.686273 0.500000 0.871557 O\n0.000000 0.500000 0.133770 O\n0.813727 0.000000 0.128443 O\n0.186273 0.000000 0.128443 O\n0.000000 0.186273 0.871557 O\n0.313727 0.500000 0.871557 O\n0.500000 0.000000 0.866230 O\n0.500000 0.686273 0.128443 O\n",
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],
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"density_atomic": 0.056401221812373774,
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"formula_full": "K2 Mo2 P2 Cl2 O10",
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{
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"structure_string": "Ba1 P2 Os2\n1.0\n-2.041950 2.041950 6.143675\n2.041950 -2.041950 6.143675\n2.041950 2.041950 -6.143675\nBa P Os\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ba\n0.655670 0.655670 0.000000 P\n0.344330 0.344330 0.000000 P\n0.250000 0.750000 0.500000 Os\n0.750000 0.250000 0.500000 Os\n",
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"elements": [
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{
"id": "mp-1199440",
"created_at": "2022-09-04T14:47:22.271807Z",
"structure_string": "U4 H24 C4 Se6 N12 O32\n1.0\n9.881218 0.000000 0.000000\n0.000000 10.305087 0.000000\n0.000000 0.053142 10.313752\nU H C Se N O\n4 24 4 6 12 32\ndirect\n0.202642 0.298043 0.195463 U\n0.202642 0.701957 0.804537 U\n0.436902 0.808557 0.298379 U\n0.436902 0.191443 0.701621 U\n0.638236 0.112590 0.985949 H\n0.638236 0.887410 0.014051 H\n0.790049 0.198157 0.989801 H\n0.790049 0.801843 0.010199 H\n0.997161 0.084537 0.996444 H\n0.997161 0.915463 0.003556 H\n0.787422 0.619724 0.342381 H\n0.787422 0.380276 0.657619 H\n0.635276 0.569423 0.410475 H\n0.635276 0.430577 0.589525 H\n0.993408 0.549735 0.431543 H\n0.993408 0.450265 0.568457 H\n0.909637 0.123795 0.653594 H\n0.909637 0.876205 0.346406 H\n0.755062 0.071925 0.588566 H\n0.755062 0.928075 0.411434 H\n0.114325 0.948456 0.434303 H\n0.114325 0.051544 0.565697 H\n0.522323 0.439548 0.058326 H\n0.522323 0.560452 0.941674 H\n0.728909 0.366754 0.146975 H\n0.728909 0.633246 0.853025 H\n0.881291 0.429928 0.089920 H\n0.881291 0.570072 0.910080 H\n0.809057 0.000000 0.000000 C\n0.805893 0.500000 0.500000 C\n0.925193 0.000000 0.500000 C\n0.711544 0.500000 0.000000 C\n0.323160 0.500000 0.500000 Se\n0.521283 0.163732 0.344817 Se\n0.521283 0.836268 0.655183 Se\n0.114782 0.343679 0.837860 Se\n0.114782 0.656321 0.162140 Se\n0.326384 0.000000 0.000000 Se\n0.740836 0.111891 0.993388 N\n0.740836 0.888109 0.006612 N\n0.944035 0.000000 0.000000 N\n0.737869 0.561786 0.406260 N\n0.737869 0.438214 0.593740 N\n0.940741 0.500000 0.500000 N\n0.857670 0.067166 0.590064 N\n0.857670 0.932834 0.409936 N\n0.059899 0.000000 0.500000 N\n0.577456 0.500000 0.000000 N\n0.780292 0.415217 0.075312 N\n0.780292 0.584783 0.924688 N\n0.051117 0.231532 0.265368 O\n0.051117 0.768468 0.734632 O\n0.587602 0.733432 0.233308 O\n0.587602 0.266568 0.766692 O\n0.349203 0.366438 0.116485 O\n0.349203 0.633562 0.883515 O\n0.427452 0.894071 0.077426 O\n0.427452 0.105929 0.922574 O\n0.282116 0.328084 0.811144 O\n0.282116 0.671916 0.188856 O\n0.288268 0.885758 0.362914 O\n0.288268 0.114242 0.637086 O\n0.079672 0.281834 0.986160 O\n0.079672 0.718166 0.013840 O\n0.077691 0.496196 0.159329 O\n0.077691 0.503804 0.840671 O\n0.426431 0.607286 0.427920 O\n0.426431 0.392714 0.572080 O\n0.220828 0.430255 0.392087 O\n0.220828 0.569745 0.607913 O\n0.552806 0.013397 0.288405 O\n0.552806 0.986603 0.711595 O\n0.352828 0.190435 0.331654 O\n0.352828 0.809565 0.668346 O\n0.227872 0.078853 0.104714 O\n0.227872 0.921147 0.895286 O\n0.612484 0.272588 0.268978 O\n0.612484 0.727412 0.731022 O\n0.557983 0.161531 0.504705 O\n0.557983 0.838469 0.495295 O\n0.019093 0.274511 0.727095 O\n0.019093 0.725489 0.272905 O\n",
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"formula_full": "U4 H24 C4 Se6 N12 O32",
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{
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{
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"structure_string": "Ba2 Nb5 O9\n1.0\n4.228391 0.000000 0.000000\n0.000000 4.228391 0.000000\n0.000000 0.000000 12.411373\nBa Nb O\n2 5 9\ndirect\n0.000000 0.000000 0.831348 Ba\n0.000000 0.000000 0.168652 Ba\n0.500000 0.500000 0.000000 Nb\n0.500000 0.500000 0.662675 Nb\n0.500000 0.500000 0.337325 Nb\n0.500000 0.000000 0.500000 Nb\n0.000000 0.500000 0.500000 Nb\n0.000000 0.500000 0.000000 O\n0.500000 0.000000 0.000000 O\n0.500000 0.500000 0.838552 O\n0.500000 0.500000 0.161448 O\n0.000000 0.500000 0.672239 O\n0.500000 0.000000 0.672239 O\n0.000000 0.500000 0.327761 O\n0.000000 0.000000 0.500000 O\n0.500000 0.000000 0.327761 O\n",
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{
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},
{
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{
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}