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{
"id": "mp-761020",
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{
"id": "mp-605835",
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"structure_string": "Nd16 Mg4 Ru4\n1.0\n0.000000 7.082186 7.082186\n7.082186 0.000000 7.082186\n7.082186 7.082186 0.000000\nNd Mg Ru\n16 4 4\ndirect\n0.561551 0.561551 0.938449 Nd\n0.188780 0.811220 0.188780 Nd\n0.811220 0.811220 0.188780 Nd\n0.188780 0.188780 0.811220 Nd\n0.405519 0.783443 0.405519 Nd\n0.811220 0.188780 0.811220 Nd\n0.938449 0.938449 0.561551 Nd\n0.811220 0.188780 0.188780 Nd\n0.938449 0.561551 0.938449 Nd\n0.783443 0.405519 0.405519 Nd\n0.561551 0.938449 0.938449 Nd\n0.188780 0.811220 0.811220 Nd\n0.561551 0.938449 0.561551 Nd\n0.405519 0.405519 0.405519 Nd\n0.938449 0.561551 0.561551 Nd\n0.405519 0.405519 0.783443 Nd\n0.171458 0.485627 0.171458 Mg\n0.171458 0.171458 0.485627 Mg\n0.485627 0.171458 0.171458 Mg\n0.171458 0.171458 0.171458 Mg\n0.164047 0.611984 0.611984 Ru\n0.611984 0.611984 0.164047 Ru\n0.611984 0.611984 0.611984 Ru\n0.611984 0.164047 0.611984 Ru\n",
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"spacegroup": 216
},
{
"id": "mp-1194779",
"created_at": "2022-09-04T14:45:58.890882Z",
"structure_string": "Cu8 H24 C24 O32\n1.0\n9.964070 0.000000 0.000000\n0.000000 6.317902 0.000000\n0.000000 1.392139 15.000957\nCu H C O\n8 24 24 32\ndirect\n0.751535 0.785174 0.155239 Cu\n0.251535 0.214826 0.344761 Cu\n0.248465 0.214826 0.844761 Cu\n0.748465 0.785174 0.655239 Cu\n0.619016 0.612764 0.341098 Cu\n0.119016 0.387236 0.158902 Cu\n0.380984 0.387236 0.658902 Cu\n0.880984 0.612764 0.841098 Cu\n0.642138 0.416788 0.622549 H\n0.142138 0.583212 0.877451 H\n0.357862 0.583212 0.377451 H\n0.857862 0.416788 0.122549 H\n0.581577 0.576726 0.545967 H\n0.081577 0.423274 0.954033 H\n0.418423 0.423274 0.454033 H\n0.918423 0.576726 0.045967 H\n0.554938 0.140783 0.100513 H\n0.054938 0.859217 0.399487 H\n0.445062 0.859217 0.899487 H\n0.945062 0.140783 0.600513 H\n0.448489 0.355487 0.067430 H\n0.948489 0.644513 0.432570 H\n0.551511 0.644513 0.932570 H\n0.051511 0.355487 0.567430 H\n0.363129 0.872240 0.103910 H\n0.863129 0.127760 0.396090 H\n0.636871 0.127760 0.896090 H\n0.136871 0.872240 0.603910 H\n0.210958 0.931735 0.159590 H\n0.710958 0.068265 0.340410 H\n0.789042 0.068265 0.840410 H\n0.289042 0.931735 0.659590 H\n0.375807 0.147995 0.180985 C\n0.875807 0.852005 0.319014 C\n0.624193 0.852005 0.819014 C\n0.124193 0.147995 0.680986 C\n0.489290 0.261443 0.126456 C\n0.989290 0.738557 0.373544 C\n0.510710 0.738557 0.873544 C\n0.010710 0.261443 0.626456 C\n0.297405 0.000961 0.121590 C\n0.797405 0.999039 0.378410 C\n0.702595 0.999039 0.878410 C\n0.202595 0.000961 0.621590 C\n0.434964 0.994427 0.257025 C\n0.934964 0.005573 0.242975 C\n0.565036 0.005573 0.742975 C\n0.065036 0.994427 0.757025 C\n0.577946 0.407360 0.175597 C\n0.077946 0.592640 0.324403 C\n0.422054 0.592640 0.824403 C\n0.922054 0.407360 0.675597 C\n0.248083 0.124328 0.037472 C\n0.748083 0.875672 0.462528 C\n0.751917 0.875672 0.962528 C\n0.251917 0.124328 0.537472 C\n0.557816 0.467809 0.595474 O\n0.057816 0.532191 0.904526 O\n0.442184 0.532191 0.404526 O\n0.942184 0.467809 0.095474 O\n0.288411 0.295937 0.218322 O\n0.788411 0.704063 0.281678 O\n0.711589 0.704063 0.781678 O\n0.211589 0.295937 0.718322 O\n0.382101 0.996412 0.334950 O\n0.882101 0.003588 0.165050 O\n0.617899 0.003588 0.665050 O\n0.117899 0.996412 0.834950 O\n0.525470 0.867149 0.239955 O\n0.025470 0.132851 0.260045 O\n0.474530 0.132851 0.760045 O\n0.974530 0.867149 0.739955 O\n0.579621 0.388433 0.260216 O\n0.079621 0.611567 0.239784 O\n0.420379 0.611567 0.739784 O\n0.920379 0.388433 0.760216 O\n0.648197 0.539039 0.124981 O\n0.148197 0.460961 0.375019 O\n0.351803 0.460961 0.875019 O\n0.851803 0.539039 0.624981 O\n0.291632 0.071901 0.963630 O\n0.791632 0.928099 0.536370 O\n0.708368 0.928099 0.036370 O\n0.208368 0.071901 0.463630 O\n0.166462 0.280212 0.043941 O\n0.666462 0.719788 0.456059 O\n0.833538 0.719788 0.956059 O\n0.333538 0.280212 0.543941 O\n",
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"chemical_system": "C-Cu-H-O",
"density": 2.3436038842391618,
"density_atomic": 0.09318672544550631,
"volume": 944.3405117981165,
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"formula_full": "Cu8 H24 C24 O32",
"formula_reduced": "CuH3C3O4",
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"energy": -576.4662964400001,
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{
"id": "mp-862775",
"created_at": "2022-09-04T14:45:58.897217Z",
"structure_string": "Li1 In1 Rh2\n1.0\n0.000000 3.128765 3.128765\n3.128765 0.000000 3.128765\n3.128765 3.128765 0.000000\nLi In Rh\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.500000 0.500000 In\n0.250000 0.250000 0.250000 Rh\n0.750000 0.750000 0.750000 Rh\n",
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{
"id": "mp-19871",
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"structure_string": "Pb2 Au4\n1.0\n0.000000 4.068628 4.068628\n4.068628 0.000000 4.068628\n4.068628 4.068628 0.000000\nPb Au\n2 4\ndirect\n0.750000 0.750000 0.750000 Pb\n0.500000 0.500000 0.500000 Pb\n0.125000 0.125000 0.625000 Au\n0.125000 0.625000 0.125000 Au\n0.125000 0.125000 0.125000 Au\n0.625000 0.125000 0.125000 Au\n",
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{
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{
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{
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{
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"structure_string": "U4 Te20\n1.0\n4.283968 0.000000 0.000000\n0.000000 10.312114 0.000000\n0.000000 0.000000 18.382892\nU Te\n4 20\ndirect\n0.385576 0.247398 0.590446 U\n0.614424 0.747398 0.409554 U\n0.885576 0.747398 0.909554 U\n0.114424 0.247398 0.090446 U\n0.613044 0.436361 0.158570 Te\n0.374993 0.747376 0.036221 Te\n0.125007 0.747376 0.536221 Te\n0.113044 0.936361 0.341430 Te\n0.022436 0.991753 0.003983 Te\n0.660843 0.757723 0.743016 Te\n0.625007 0.247376 0.963779 Te\n0.160843 0.257723 0.756984 Te\n0.522436 0.491753 0.496017 Te\n0.477564 0.991753 0.503983 Te\n0.385635 0.568088 0.834584 Te\n0.977564 0.491753 0.996017 Te\n0.114365 0.568088 0.334584 Te\n0.386956 0.936361 0.841430 Te\n0.885635 0.068088 0.665416 Te\n0.839157 0.757723 0.243016 Te\n0.614365 0.068088 0.165416 Te\n0.886956 0.436361 0.658570 Te\n0.874993 0.247376 0.463779 Te\n0.339157 0.257723 0.256984 Te\n",
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},
{
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{
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]
}