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{
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"structure_string": "Yb2 Si12 H108 C36 N6\n1.0\n8.287075 -14.353635 0.000000\n8.287075 14.353635 0.000000\n0.000000 0.000000 9.691731\nYb Si H C N\n2 12 108 36 6\ndirect\n0.333333 0.666667 0.185453 Yb\n0.666667 0.333333 0.685453 Yb\n0.173949 0.713517 0.378739 Si\n0.284727 0.827264 0.123390 Si\n0.172736 0.457463 0.123390 Si\n0.286483 0.460432 0.378739 Si\n0.539568 0.826051 0.378739 Si\n0.542537 0.715273 0.123390 Si\n0.460432 0.286483 0.878739 Si\n0.457463 0.172736 0.623390 Si\n0.715273 0.542537 0.623390 Si\n0.826051 0.539568 0.878739 Si\n0.713517 0.173949 0.878739 Si\n0.827264 0.284727 0.623390 Si\n0.999404 0.617730 0.385197 H\n0.036418 0.693210 0.240091 H\n0.119822 0.786368 0.550209 H\n0.128984 0.815973 0.076483 H\n0.043075 0.589210 0.237159 H\n0.184482 0.870406 0.421721 H\n0.213177 0.880942 0.948050 H\n0.155379 0.757013 0.946804 H\n0.998078 0.381096 0.115305 H\n0.243621 0.844752 0.552214 H\n0.043047 0.453851 0.262856 H\n0.132676 0.627563 0.594190 H\n0.307586 0.965094 0.260447 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H\n0.815518 0.685924 0.921721 H\n0.565988 0.164020 0.975866 H\n0.598281 0.164235 0.524936 H\n0.871016 0.686988 0.576483 H\n0.844621 0.601633 0.446804 H\n0.667535 0.251924 0.060946 H\n0.880178 0.666546 0.050209 H\n0.748076 0.415611 0.060946 H\n0.627563 0.132676 0.094190 H\n0.589210 0.043075 0.737159 H\n0.747707 0.332359 0.437359 H\n0.617730 0.999404 0.885197 H\n0.867324 0.494887 0.094190 H\n0.835765 0.434046 0.524936 H\n0.835980 0.401969 0.975866 H\n0.963582 0.656792 0.740091 H\n0.693210 0.036418 0.740091 H\n0.865394 0.371119 0.409038 H\n0.956925 0.546135 0.737159 H\n0.757013 0.155379 0.446804 H\n0.000596 0.618325 0.885197 H\n0.844752 0.243621 0.052214 H\n0.786368 0.119822 0.050209 H\n0.815973 0.128984 0.576483 H\n0.956953 0.410804 0.762856 H\n0.870406 0.184482 0.921721 H\n0.880942 0.213177 0.448050 H\n0.965094 0.307586 0.760447 H\n0.001922 0.383018 0.615305 H\n0.051926 0.647255 0.302793 C\n0.182231 0.814125 0.484068 C\n0.185632 0.818682 0.014411 C\n0.050848 0.403957 0.197263 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N\n0.256841 0.511393 0.248207 N\n0.488607 0.745448 0.248207 N\n0.511393 0.256841 0.748207 N\n0.745448 0.488607 0.748207 N\n0.743159 0.254552 0.748207 N\n",
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"elements": [
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],
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"density": 0.9423048801366097,
"density_atomic": 0.07112943077754723,
"volume": 2305.6560161840684,
"volume_molar": 8.466454313171523,
"formula_full": "Yb2 Si12 H108 C36 N6",
"formula_reduced": "YbSi6H54(C6N)3",
"formula_anonymous": "AB3C6D18E54",
"energy": -860.28193304,
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"updated_at": "2021-11-28T01:35:44.064000Z",
"spacegroup": 159
},
{
"id": "mp-1212750",
"created_at": "2022-09-04T14:43:20.661748Z",
"structure_string": "La8 N48 O108\n1.0\n13.628610 -0.000000 0.000000\n0.000000 13.628610 -0.000000\n0.000000 -0.000000 13.628610\nLa N O\n8 48 108\ndirect\n0.052776 0.052776 0.052776 La\n0.447224 0.947224 0.552776 La\n0.947224 0.552776 0.447224 La\n0.802776 0.302776 0.197224 La\n0.552776 0.447224 0.947224 La\n0.697224 0.697224 0.697224 La\n0.302776 0.197224 0.802776 La\n0.197224 0.802776 0.302776 La\n0.104202 0.409401 0.362237 N\n0.395798 0.590599 0.862237 N\n0.895798 0.909401 0.137763 N\n0.362237 0.104202 0.409401 N\n0.159401 0.354202 0.887763 N\n0.604202 0.090599 0.637763 N\n0.862237 0.395798 0.590599 N\n0.340599 0.645798 0.387763 N\n0.137763 0.895798 0.909401 N\n0.659401 0.145798 0.112237 N\n0.637763 0.604202 0.090599 N\n0.840599 0.854202 0.612237 N\n0.409401 0.362237 0.104202 N\n0.854202 0.612237 0.840599 N\n0.909401 0.137763 0.895798 N\n0.645798 0.387763 0.340599 N\n0.090599 0.637763 0.604202 N\n0.354202 0.887763 0.159401 N\n0.590599 0.862237 0.395798 N\n0.145798 0.112237 0.659401 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],
"chemical_system": "La-N-O",
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"formula_full": "La8 N48 O108",
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"formula_anonymous": "A2B12C27",
"energy": -1089.64622689,
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"updated_at": "2021-11-28T01:36:13.614000Z",
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},
{
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"created_at": "2022-09-04T14:41:45.147103Z",
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0.409190 H\n0.788508 0.489533 0.090810 H\n0.711492 0.489533 0.590810 H\n0.211492 0.510467 0.909190 H\n0.427133 0.598323 0.426665 H\n0.927133 0.401677 0.073335 H\n0.572867 0.401677 0.573335 H\n0.072867 0.598323 0.926665 H\n0.341059 0.634243 0.695537 C\n0.841059 0.365757 0.804463 C\n0.658941 0.365757 0.304463 C\n0.158941 0.634243 0.195537 C\n0.621389 0.778907 0.336408 C\n0.121389 0.221093 0.163592 C\n0.378611 0.221093 0.663592 C\n0.878611 0.778907 0.836408 C\n0.768292 0.931705 0.503818 C\n0.268292 0.068295 0.996182 C\n0.231708 0.068295 0.496182 C\n0.731708 0.931705 0.003818 C\n0.226296 0.648623 0.453526 C\n0.726296 0.351377 0.046474 C\n0.773704 0.351377 0.546474 C\n0.273704 0.648623 0.953526 C\n0.524967 0.633341 0.678912 S\n0.024967 0.366659 0.821088 S\n0.475033 0.366659 0.321088 S\n0.975033 0.633341 0.178912 S\n0.664974 0.687092 0.412543 S\n0.164974 0.312908 0.087457 S\n0.335026 0.312908 0.587457 S\n0.835026 0.687092 0.912543 S\n0.645102 0.918413 0.584542 S\n0.145102 0.081587 0.915458 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O\n0.471212 0.868266 0.847289 O\n0.971212 0.131734 0.652711 O\n0.528788 0.131734 0.152711 O\n0.028788 0.868266 0.347289 O\n",
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"elements": [
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"updated_at": "2021-11-28T01:35:43.031000Z",
"spacegroup": 14
},
{
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"density": 7.3572674933874165,
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"updated_at": "2021-11-28T01:36:49.054000Z",
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},
{
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},
{
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}