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{
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{
"id": "mp-626073",
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"structure_string": "Al8 H24 O24\n1.0\n5.214067 0.000000 0.000000\n0.000000 9.025198 0.000000\n0.000000 8.830428 9.581026\nAl H O\n8 24 24\ndirect\n0.248199 0.814187 0.522493 Al\n0.751801 0.814187 0.022493 Al\n0.240739 0.148167 0.522506 Al\n0.759261 0.148167 0.022506 Al\n0.750477 0.647296 0.522553 Al\n0.249523 0.647296 0.022553 Al\n0.744213 0.314885 0.522359 Al\n0.255787 0.314885 0.022359 Al\n0.941695 0.596330 0.722110 H\n0.058305 0.596330 0.222110 H\n0.644990 0.156447 0.443879 H\n0.573439 0.459669 0.221771 H\n0.355010 0.156447 0.943879 H\n0.426561 0.459669 0.721771 H\n0.412441 0.116514 0.719851 H\n0.587559 0.116514 0.219851 H\n0.149515 0.639077 0.457635 H\n0.850485 0.639077 0.957635 H\n0.888651 0.283501 0.720056 H\n0.111349 0.283501 0.220056 H\n0.443124 0.548200 0.456541 H\n0.556876 0.548200 0.956541 H\n0.408116 0.789988 0.718903 H\n0.591884 0.789988 0.218903 H\n0.939807 0.084435 0.403598 H\n0.060193 0.084435 0.903598 H\n0.152561 0.499809 0.399761 H\n0.847439 0.499809 0.899761 H\n0.910274 0.955656 0.717577 H\n0.089726 0.955656 0.217577 H\n0.650297 0.937367 0.466651 H\n0.349703 0.937367 0.966651 H\n0.936736 0.700348 0.618934 O\n0.063264 0.700348 0.118934 O\n0.557556 0.278844 0.408110 O\n0.442444 0.278844 0.908110 O\n0.427150 0.203905 0.617881 O\n0.572850 0.203905 0.117881 O\n0.069843 0.769679 0.409639 O\n0.930157 0.769679 0.909639 O\n0.877104 0.387439 0.617128 O\n0.122896 0.387439 0.117128 O\n0.608947 0.592761 0.409160 O\n0.391053 0.592761 0.909160 O\n0.376283 0.889831 0.617242 O\n0.623717 0.889831 0.117242 O\n0.125079 0.091463 0.404728 O\n0.874921 0.091463 0.904728 O\n0.436153 0.572897 0.619190 O\n0.563847 0.572897 0.119190 O\n0.052992 0.405668 0.403438 O\n0.947008 0.405668 0.903438 O\n0.927559 0.073930 0.616740 O\n0.072441 0.073930 0.116740 O\n0.575970 0.909295 0.412290 O\n0.424030 0.909295 0.912290 O\n",
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"formula_full": "Al8 H24 O24",
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"spacegroup": 7
},
{
"id": "mp-1104598",
"created_at": "2022-09-04T14:41:49.395596Z",
"structure_string": "Er1 B12\n1.0\n0.000000 3.739857 3.739857\n3.739857 0.000000 3.739857\n3.739857 3.739857 0.000000\nEr B\n1 12\ndirect\n0.000000 0.000000 0.000000 Er\n0.500000 0.500000 0.837767 B\n0.162233 0.500000 0.837767 B\n0.500000 0.162233 0.837767 B\n0.162233 0.837767 0.500000 B\n0.500000 0.837767 0.500000 B\n0.500000 0.837767 0.162233 B\n0.837767 0.162233 0.500000 B\n0.837767 0.500000 0.162233 B\n0.837767 0.500000 0.500000 B\n0.500000 0.500000 0.162233 B\n0.500000 0.162233 0.500000 B\n0.162233 0.500000 0.500000 B\n",
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{
"id": "mp-1223097",
"created_at": "2022-09-04T14:46:19.294732Z",
"structure_string": "Li16 H8 N8\n1.0\n-3.552708 3.560033 5.089536\n3.552708 -3.560033 5.089536\n3.552708 3.560033 -5.089536\nLi H N\n16 8 8\ndirect\n0.855972 0.114427 0.758455 Li\n0.144028 0.902483 0.258455 Li\n0.629749 0.885247 0.755498 Li\n0.132167 0.384610 0.752443 Li\n0.121378 0.354616 0.244394 Li\n0.604941 0.884275 0.260421 Li\n0.123854 0.884275 0.779334 Li\n0.610223 0.354616 0.733238 Li\n0.370251 0.125749 0.255498 Li\n0.867833 0.620276 0.252443 Li\n0.876146 0.655480 0.760421 Li\n0.389777 0.123016 0.744394 Li\n0.878622 0.123016 0.233238 Li\n0.395059 0.655480 0.279334 Li\n0.993984 0.003006 0.509022 Li\n0.006016 0.515037 0.009022 Li\n0.698823 0.313611 0.114788 H\n0.704031 0.598596 0.394565 H\n0.386164 0.300628 0.086566 H\n0.714062 0.300628 0.414464 H\n0.295969 0.690534 0.894565 H\n0.301177 0.415964 0.614788 H\n0.613836 0.700402 0.914464 H\n0.285938 0.700402 0.586566 H\n0.757022 0.252367 0.995345 N\n0.761065 0.776283 0.515219 N\n0.208472 0.241978 0.970541 N\n0.771437 0.241978 0.533507 N\n0.238935 0.754154 0.015219 N\n0.242978 0.238324 0.495345 N\n0.791529 0.762070 0.033507 N\n0.228563 0.762070 0.470541 N\n",
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"formula_full": "Li16 H8 N8",
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"updated_at": "2021-11-28T01:37:33.063000Z",
"spacegroup": 46
},
{
"id": "mp-1199564",
"created_at": "2022-09-04T14:46:12.472052Z",
"structure_string": "Li4 Al2 B10 H76 N12\n1.0\n3.897227 -6.750195 0.000000\n3.897227 6.750195 0.000000\n0.000000 0.000000 15.904447\nLi Al B H N\n4 2 10 76 12\ndirect\n0.666667 0.333333 0.715262 Li\n0.666667 0.333333 0.215262 Li\n0.333333 0.666667 0.284738 Li\n0.333333 0.666667 0.784738 Li\n0.000000 0.000000 0.500000 Al\n0.000000 0.000000 0.000000 Al\n0.000000 0.376814 0.750000 B\n0.376814 0.000000 0.750000 B\n0.623186 0.623186 0.750000 B\n0.000000 0.623186 0.250000 B\n0.623186 0.000000 0.250000 B\n0.376814 0.376814 0.250000 B\n0.666667 0.333333 0.545824 B\n0.666667 0.333333 0.045824 B\n0.333333 0.666667 0.454176 B\n0.333333 0.666667 0.954176 B\n0.245771 0.132659 0.369858 H\n0.886889 0.754229 0.369858 H\n0.867341 0.113111 0.369858 H\n0.245771 0.113111 0.869858 H\n0.867341 0.754229 0.869858 H\n0.886889 0.132659 0.869858 H\n0.754229 0.867341 0.630142 H\n0.113111 0.245771 0.630142 H\n0.132659 0.886889 0.630142 H\n0.754229 0.886889 0.130142 H\n0.132659 0.245771 0.130142 H\n0.113111 0.867341 0.130142 H\n0.374656 0.159050 0.454837 H\n0.784394 0.625344 0.454837 H\n0.840950 0.215606 0.454837 H\n0.374656 0.215606 0.954837 H\n0.840950 0.625344 0.954837 H\n0.784394 0.159050 0.954837 H\n0.625344 0.840950 0.545163 H\n0.215606 0.374656 0.545163 H\n0.159050 0.784394 0.545163 H\n0.625344 0.784394 0.045163 H\n0.159050 0.374656 0.045163 H\n0.215606 0.840950 0.045163 H\n0.246824 0.941013 0.412722 H\n0.694189 0.753176 0.412722 H\n0.058987 0.305811 0.412722 H\n0.246824 0.305811 0.912722 H\n0.058987 0.753176 0.912722 H\n0.694189 0.941013 0.912722 H\n0.753176 0.058987 0.587278 H\n0.305811 0.246824 0.587278 H\n0.941013 0.694189 0.587278 H\n0.753176 0.694189 0.087278 H\n0.941013 0.246824 0.087278 H\n0.305811 0.058987 0.087278 H\n0.103032 0.518356 0.704069 H\n0.415325 0.896968 0.704069 H\n0.481644 0.584675 0.704069 H\n0.103032 0.584675 0.204069 H\n0.481644 0.896968 0.204069 H\n0.415325 0.518356 0.204069 H\n0.896968 0.481644 0.295931 H\n0.584675 0.103032 0.295931 H\n0.518356 0.415325 0.295931 H\n0.896968 0.415325 0.795931 H\n0.518356 0.103032 0.795931 H\n0.584675 0.481644 0.795931 H\n0.894144 0.231700 0.706425 H\n0.337556 0.105856 0.706425 H\n0.768300 0.662444 0.706425 H\n0.894144 0.662444 0.206425 H\n0.768300 0.105856 0.206425 H\n0.337556 0.231700 0.206425 H\n0.105856 0.768300 0.293575 H\n0.662444 0.894144 0.293575 H\n0.231700 0.337556 0.293575 H\n0.105856 0.337556 0.793575 H\n0.231700 0.894144 0.793575 H\n0.662444 0.768300 0.793575 H\n0.666667 0.333333 0.468434 H\n0.666667 0.333333 0.968434 H\n0.333333 0.666667 0.531566 H\n0.333333 0.666667 0.031566 H\n0.538768 0.170603 0.571565 H\n0.631835 0.461232 0.571565 H\n0.829397 0.368165 0.571565 H\n0.538768 0.368165 0.071565 H\n0.829397 0.461232 0.071565 H\n0.631835 0.170603 0.071565 H\n0.461232 0.829397 0.428435 H\n0.368165 0.538768 0.428435 H\n0.170603 0.631835 0.428435 H\n0.461232 0.631835 0.928435 H\n0.170603 0.538768 0.928435 H\n0.368165 0.829397 0.928435 H\n0.240107 0.066162 0.426729 N\n0.826055 0.759893 0.426729 N\n0.933838 0.173945 0.426729 N\n0.240107 0.173945 0.926729 N\n0.933838 0.759893 0.926729 N\n0.826055 0.066162 0.926729 N\n0.759893 0.933838 0.573271 N\n0.173945 0.240107 0.573271 N\n0.066162 0.826055 0.573271 N\n0.759893 0.826055 0.073271 N\n0.066162 0.240107 0.073271 N\n0.173945 0.933838 0.073271 N\n",
"nsites": 104,
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{
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"structure_string": "Mn3 Cr3 B8\n1.0\n0.000000 0.000000 2.954557\n2.947570 0.000000 0.000000\n0.000000 12.933426 0.000000\nMn Cr B\n3 3 8\ndirect\n0.000000 0.000000 0.813977 Mn\n0.500000 0.000000 0.001017 Mn\n0.000000 0.500000 0.500521 Mn\n0.000000 0.000000 0.185821 Cr\n0.500000 0.500000 0.685932 Cr\n0.500000 0.500000 0.313850 Cr\n0.500000 0.000000 0.434149 B\n0.000000 0.500000 0.932743 B\n0.000000 0.500000 0.065558 B\n0.500000 0.000000 0.566822 B\n0.000000 0.000000 0.359990 B\n0.500000 0.500000 0.858161 B\n0.500000 0.500000 0.139845 B\n0.000000 0.000000 0.641614 B\n",
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{
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{
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"structure_string": "Si2 O4\n1.0\n4.233169 0.000000 0.000000\n0.000000 4.233169 0.000000\n0.000000 0.000000 2.693495\nSi O\n2 4\ndirect\n0.500000 0.500000 0.500000 Si\n0.000000 0.000000 0.000000 Si\n0.693161 0.693161 0.000000 O\n0.193161 0.806839 0.500000 O\n0.306839 0.306839 0.000000 O\n0.806839 0.193161 0.500000 O\n",
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{
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