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{
"id": "oqmd-21466",
"created_at": "2022-09-04T14:49:15.898429Z",
"updated_at": "2022-09-04T14:49:15.898450Z",
"structure_string": "Si20 H114 C38\n1.0\n9.428354 -0.151862 0.006579\n-4.833250 12.306910 0.156470\n-2.375388 -5.023128 13.472563\nC H Si\n38 114 20\ndirect\n0.988746 0.171940 0.041603 C\n0.338641 0.450400 0.046776 C\n0.289369 0.710314 0.076306 C\n0.433362 0.211881 0.087385 C\n0.990268 0.480257 0.141723 C\n0.713212 0.802810 0.175734 C\n0.417529 0.963344 0.176156 C\n0.062193 0.047038 0.181309 C\n0.667524 0.529676 0.192085 C\n0.114678 0.794903 0.213969 C\n0.795197 0.235940 0.233366 C\n0.485809 0.303539 0.315527 C\n0.863797 0.017050 0.363302 C\n0.019127 0.558123 0.366084 C\n0.844218 0.793503 0.383569 C\n0.095941 0.328518 0.412667 C\n0.471227 0.585550 0.422144 C\n0.315607 0.073716 0.425558 C\n0.678417 0.180094 0.467727 C\n0.321584 0.819905 0.532273 C\n0.684392 0.926284 0.574441 C\n0.528772 0.414449 0.577856 C\n0.904058 0.671482 0.587333 C\n0.155782 0.206496 0.616430 C\n0.980873 0.441878 0.633917 C\n0.136205 0.982950 0.636699 C\n0.514190 0.696460 0.684473 C\n0.204801 0.764059 0.766633 C\n0.885322 0.205097 0.786031 C\n0.332477 0.470323 0.807914 C\n0.937807 0.952962 0.818691 C\n0.582470 0.036656 0.823843 C\n0.286788 0.197189 0.824266 C\n0.009731 0.519742 0.858277 C\n0.566638 0.788118 0.912615 C\n0.710630 0.289686 0.923693 C\n0.661358 0.549600 0.953224 C\n0.011253 0.828059 0.958397 C\n0.630059 0.609841 0.003293 H\n0.958666 0.857099 0.015762 H\n0.238117 0.733685 0.016230 H\n0.341947 0.180401 0.016733 H\n0.864456 0.105977 0.023829 H\n0.369079 0.528526 0.025842 H\n0.208263 0.408002 0.033127 H\n0.985464 0.253109 0.038052 H\n0.403509 0.712204 0.067124 H\n0.207879 0.621295 0.067978 H\n0.548623 0.266082 0.078536 H\n0.044632 0.453052 0.084684 H\n0.442143 0.136343 0.101707 H\n0.335755 0.964299 0.113747 H\n0.866082 0.414022 0.120903 H\n0.681046 0.465792 0.133733 H\n0.121508 0.004549 0.137599 H\n0.986915 0.561700 0.139411 H\n0.618502 0.713530 0.140277 H\n0.678099 0.858165 0.141338 H\n0.025990 0.761332 0.141677 H\n0.755191 0.219765 0.153751 H\n0.527063 0.970829 0.154721 H\n0.933263 0.989561 0.155964 H\n0.824046 0.804738 0.159545 H\n0.731636 0.615352 0.186091 H\n0.449105 0.041095 0.239587 H\n0.741469 0.151778 0.244521 H\n0.075325 0.730617 0.251177 H\n0.113289 0.874899 0.258030 H\n0.106382 0.055905 0.258558 H\n0.727695 0.530033 0.263209 H\n0.745079 0.291238 0.271411 H\n0.495166 0.222211 0.311156 H\n0.831429 0.062651 0.316361 H\n0.607458 0.375271 0.345164 H\n0.313703 0.039050 0.348269 H\n0.896552 0.495313 0.357772 H\n0.015488 0.639581 0.363860 H\n0.780729 0.699125 0.365248 H\n0.989178 0.034352 0.368987 H\n0.419701 0.316974 0.369519 H\n0.961858 0.813579 0.369686 H\n0.665786 0.134213 0.390551 H\n0.466846 0.499085 0.411342 H\n0.049752 0.247234 0.429027 H\n0.307312 0.156414 0.436307 H\n0.227271 0.367760 0.436766 H\n0.208964 0.012012 0.437529 H\n0.857133 0.055532 0.437562 H\n0.091923 0.575407 0.439974 H\n0.597012 0.649996 0.453640 H\n0.058919 0.388472 0.458231 H\n0.864988 0.834416 0.463050 H\n0.681924 0.265312 0.472413 H\n0.406902 0.601036 0.476742 H\n0.205765 0.804634 0.487100 H\n0.794237 0.195367 0.512900 H\n0.593096 0.398964 0.523257 H\n0.318076 0.734689 0.527588 H\n0.135012 0.165583 0.536951 H\n0.941081 0.611528 0.541769 H\n0.402987 0.350005 0.546361 H\n0.908077 0.424592 0.560027 H\n0.142867 0.944468 0.562439 H\n0.791037 0.987990 0.562471 H\n0.772728 0.632239 0.563234 H\n0.692687 0.843586 0.563693 H\n0.950248 0.752765 0.570973 H\n0.533154 0.500914 0.588658 H\n0.334213 0.865787 0.609448 H\n0.038141 0.186420 0.630313 H\n0.580299 0.683027 0.630480 H\n0.010821 0.965648 0.631012 H\n0.219271 0.300875 0.634752 H\n0.984512 0.360418 0.636141 H\n0.103447 0.504687 0.642228 H\n0.686298 0.960950 0.651731 H\n0.392542 0.624730 0.654836 H\n0.168570 0.937348 0.683640 H\n0.504835 0.777789 0.688845 H\n0.254922 0.708763 0.728588 H\n0.272306 0.469967 0.736792 H\n0.893618 0.944096 0.741442 H\n0.886712 0.125102 0.741970 H\n0.924675 0.269383 0.748823 H\n0.258531 0.848222 0.755479 H\n0.550896 0.958905 0.760414 H\n0.268363 0.384648 0.813908 H\n0.175954 0.195262 0.840456 H\n0.066736 0.010438 0.844036 H\n0.472935 0.029172 0.845278 H\n0.244809 0.780233 0.846249 H\n0.974010 0.238668 0.858323 H\n0.321900 0.141836 0.858661 H\n0.381498 0.286470 0.859724 H\n0.013085 0.438301 0.860590 H\n0.878492 0.995450 0.862400 H\n0.318955 0.534209 0.866267 H\n0.133917 0.585976 0.879096 H\n0.664244 0.035701 0.886252 H\n0.557858 0.863657 0.898293 H\n0.955368 0.546947 0.915316 H\n0.451378 0.733919 0.921465 H\n0.792120 0.378705 0.932021 H\n0.596492 0.287797 0.932877 H\n0.014535 0.746890 0.961947 H\n0.791735 0.591997 0.966873 H\n0.630921 0.471474 0.974158 H\n0.135541 0.894021 0.976171 H\n0.658052 0.819599 0.983266 H\n0.761883 0.266316 0.983770 H\n0.041334 0.142900 0.984238 H\n0.369943 0.390159 0.996707 H\n0.104980 0.193700 0.168889 Si\n0.446251 0.479991 0.178482 Si\n0.376354 0.294313 0.190665 Si\n0.318204 0.820132 0.196458 Si\n0.100204 0.493269 0.267482 Si\n0.021526 0.305738 0.277414 Si\n0.379230 0.596489 0.300908 Si\n0.734733 0.855658 0.312325 Si\n0.473499 0.799497 0.326878 Si\n0.493778 0.906041 0.490035 Si\n0.506222 0.093960 0.509964 Si\n0.526501 0.200504 0.673122 Si\n0.265267 0.144342 0.687675 Si\n0.620770 0.403511 0.699092 Si\n0.978475 0.694263 0.722586 Si\n0.899797 0.506731 0.732519 Si\n0.681795 0.179868 0.803542 Si\n0.623645 0.705687 0.809334 Si\n0.553748 0.520009 0.821518 Si\n0.895018 0.806299 0.831111 Si\n",
"nsites": 172,
"nelements": 3,
"elements": [
"C",
"H",
"Si"
],
"chemical_system": "C-H-Si",
"density": 1.2051125606104691,
"density_atomic": 0.11017136030586927,
"volume": 1561.2042868716114,
"volume_molar": 5.466158122474572,
"formula_full": "Si20 H114 C38",
"formula_reduced": "Si10(H3C)19",
"formula_anonymous": "A10B19C57",
"formation_energy": -0.171318690488349,
"spacegroup": 2
},
{
"id": "oqmd-27327",
"created_at": "2022-09-04T14:49:22.745995Z",
"updated_at": "2022-09-04T14:49:22.746017Z",
"structure_string": "Ti26 Si62 Ni80\n1.0\n17.052680 0.000044 0.000000\n-8.526302 14.768076 0.000000\n0.000000 0.000000 7.821922\nNi Si Ti\n80 62 26\ndirect\n0.766073 0.084515 0.000000 Ni\n0.318447 0.084547 0.000000 Ni\n0.543395 0.086792 0.000000 Ni\n0.915485 0.233927 0.000000 Ni\n0.318463 0.233952 0.000000 Ni\n0.084547 0.318447 0.000000 Ni\n0.233953 0.318463 0.000000 Ni\n0.666662 0.333338 0.000000 Ni\n0.543432 0.456568 0.000000 Ni\n0.913207 0.456604 0.000000 Ni\n0.086793 0.543396 0.000000 Ni\n0.456568 0.543432 0.000000 Ni\n0.333338 0.666662 0.000000 Ni\n0.766048 0.681537 0.000000 Ni\n0.915453 0.681553 0.000000 Ni\n0.681537 0.766048 0.000000 Ni\n0.084515 0.766073 0.000000 Ni\n0.456604 0.913208 0.000000 Ni\n0.681553 0.915454 0.000000 Ni\n0.233926 0.915485 0.000000 Ni\n0.658875 0.105376 0.224369 Ni\n0.446477 0.105380 0.224369 Ni\n0.894624 0.341124 0.224369 Ni\n0.105380 0.446477 0.224369 Ni\n0.894621 0.553524 0.224369 Ni\n0.105376 0.658876 0.224369 Ni\n0.553523 0.894621 0.224369 Ni\n0.341125 0.894624 0.224369 Ni\n0.446527 0.341148 0.224400 Ni\n0.341148 0.446528 0.224400 Ni\n0.658851 0.553472 0.224400 Ni\n0.553473 0.658852 0.224400 Ni\n0.910658 0.089341 0.238537 Ni\n0.089342 0.910659 0.238537 Ni\n0.178749 0.089378 0.238554 Ni\n0.089378 0.178749 0.238554 Ni\n0.910622 0.821251 0.238554 Ni\n0.821251 0.910622 0.238554 Ni\n0.737743 0.262257 0.344717 Ni\n0.262257 0.737743 0.344717 Ni\n0.524522 0.262261 0.344738 Ni\n0.737738 0.475478 0.344738 Ni\n0.262262 0.524522 0.344738 Ni\n0.475478 0.737739 0.344738 Ni\n0.580806 0.000000 0.500000 Ni\n0.857826 0.142173 0.500000 Ni\n0.284364 0.142179 0.500000 Ni\n0.142179 0.284364 0.500000 Ni\n0.000000 0.419192 0.500000 Ni\n0.419215 0.419215 0.500000 Ni\n0.580785 0.580786 0.500000 Ni\n0.000000 0.580808 0.500000 Ni\n0.857821 0.715636 0.500000 Ni\n0.715636 0.857821 0.500000 Ni\n0.142174 0.857827 0.500000 Ni\n0.419194 0.000000 0.500000 Ni\n0.524522 0.262261 0.655262 Ni\n0.737738 0.475478 0.655262 Ni\n0.262262 0.524522 0.655262 Ni\n0.475478 0.737739 0.655262 Ni\n0.737743 0.262257 0.655283 Ni\n0.262257 0.737743 0.655283 Ni\n0.178749 0.089378 0.761447 Ni\n0.089378 0.178749 0.761447 Ni\n0.910622 0.821251 0.761447 Ni\n0.821251 0.910622 0.761447 Ni\n0.910658 0.089341 0.761462 Ni\n0.089342 0.910659 0.761462 Ni\n0.446527 0.341148 0.775600 Ni\n0.341148 0.446528 0.775600 Ni\n0.658851 0.553472 0.775600 Ni\n0.553473 0.658852 0.775600 Ni\n0.446477 0.105380 0.775630 Ni\n0.105380 0.446477 0.775630 Ni\n0.894621 0.553524 0.775630 Ni\n0.553523 0.894621 0.775630 Ni\n0.658875 0.105376 0.775632 Ni\n0.894624 0.341124 0.775632 Ni\n0.105376 0.658876 0.775632 Ni\n0.341125 0.894624 0.775632 Ni\n0.385649 0.000000 0.000000 Si\n0.159795 0.000000 0.000000 Si\n0.000000 0.159795 0.000000 Si\n0.159816 0.159816 0.000000 Si\n0.000000 0.385649 0.000000 Si\n0.385654 0.385654 0.000000 Si\n0.614346 0.614346 0.000000 Si\n0.000000 0.614352 0.000000 Si\n0.840184 0.840184 0.000000 Si\n0.000000 0.840205 0.000000 Si\n0.840206 0.000000 0.000000 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Si\n0.000000 0.855770 0.500000 Si\n0.284244 0.872054 0.500000 Si\n0.587812 0.872060 0.500000 Si\n0.144230 0.000000 0.500000 Si\n0.500000 0.500001 0.739497 Si\n0.500000 0.000000 0.739511 Si\n0.000000 0.500000 0.739511 Si\n0.355566 0.177791 0.765588 Si\n0.177791 0.355566 0.765588 Si\n0.822210 0.644434 0.765588 Si\n0.644435 0.822209 0.765588 Si\n0.822218 0.177783 0.765593 Si\n0.177783 0.822217 0.765593 Si\n0.605664 0.211338 0.818024 Si\n0.788662 0.394336 0.818024 Si\n0.211338 0.605664 0.818024 Si\n0.394336 0.788662 0.818024 Si\n0.605668 0.394333 0.818027 Si\n0.394333 0.605667 0.818027 Si\n0.756195 0.243806 0.000000 Ti\n0.487616 0.243824 0.000000 Ti\n0.243824 0.487616 0.000000 Ti\n0.756176 0.512384 0.000000 Ti\n0.512384 0.756176 0.000000 Ti\n0.243805 0.756194 0.000000 Ti\n0.270254 0.000000 0.305242 Ti\n0.000000 0.270254 0.305242 Ti\n0.000000 0.729746 0.305242 Ti\n0.729746 0.000000 0.305242 Ti\n0.270268 0.270269 0.305261 Ti\n0.729731 0.729731 0.305261 Ti\n0.000000 0.000000 0.328144 Ti\n0.576842 0.153686 0.500000 Ti\n0.846314 0.423158 0.500000 Ti\n0.576839 0.423160 0.500000 Ti\n0.423160 0.576840 0.500000 Ti\n0.153686 0.576842 0.500000 Ti\n0.423158 0.846314 0.500000 Ti\n0.000000 0.000000 0.671857 Ti\n0.270268 0.270269 0.694737 Ti\n0.729731 0.729731 0.694737 Ti\n0.270254 0.000000 0.694759 Ti\n0.000000 0.270254 0.694759 Ti\n0.000000 0.729746 0.694759 Ti\n0.729746 0.000000 0.694759 Ti\n",
"nsites": 168,
"nelements": 3,
"elements": [
"Ni",
"Si",
"Ti"
],
"chemical_system": "Ni-Si-Ti",
"density": 6.475211879622275,
"density_atomic": 0.08528616628492282,
"volume": 1969.8388064337184,
"volume_molar": 7.0610991469370505,
"formula_full": "Ti26 Si62 Ni80",
"formula_reduced": "Ti13Si31Ni40",
"formula_anonymous": "A13B31C40",
"formation_energy": -0.706563701597874,
"spacegroup": 191
},
{
"id": "oqmd-20223",
"created_at": "2022-09-04T14:49:14.282073Z",
"updated_at": "2022-09-04T14:49:14.282101Z",
"structure_string": "Li4 Si12 H108 C36 N8\n1.0\n8.122273 -0.043279 0.004956\n-3.883720 8.140761 -0.032386\n-0.735921 -4.754512 19.883251\nC H Li N Si\n36 108 4 8 12\ndirect\n0.592983 0.719397 0.012761 C\n0.797719 0.210532 0.035115 C\n0.175560 0.499091 0.089397 C\n0.822682 0.640176 0.108374 C\n0.363046 0.044340 0.136231 C\n0.660319 0.885466 0.160073 C\n0.909592 0.348873 0.188077 C\n0.415645 0.390760 0.196325 C\n0.122463 0.087298 0.242548 C\n0.253521 0.769702 0.258960 C\n0.724423 0.758773 0.303416 C\n0.641018 0.178840 0.315618 C\n0.426994 0.479129 0.361401 C\n0.062371 0.585450 0.362272 C\n0.195663 0.957800 0.393791 C\n0.968444 0.217481 0.409194 C\n0.760081 0.764587 0.451649 C\n0.706403 0.355829 0.465049 C\n0.293594 0.644172 0.534955 C\n0.239899 0.235407 0.548355 C\n0.031566 0.782536 0.590810 C\n0.804328 0.042200 0.606209 C\n0.937628 0.414560 0.637727 C\n0.572992 0.520859 0.638602 C\n0.358986 0.821170 0.684383 C\n0.275569 0.241209 0.696584 C\n0.746480 0.230308 0.741036 C\n0.877541 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{
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"created_at": "2022-09-04T14:49:14.930444Z",
"updated_at": "2022-09-04T14:49:14.930470Z",
"structure_string": "Si8 H100 C40 N4\n1.0\n8.367188 0.000000 -0.089087\n0.000000 11.998512 0.000000\n-4.309642 0.000000 11.996355\nC H N Si\n40 100 4 8\ndirect\n0.332968 0.932357 0.039228 C\n0.258300 0.461088 0.043877 C\n0.975279 0.221077 0.056245 C\n0.772959 0.782959 0.130571 C\n0.418126 0.619231 0.157692 C\n0.315342 0.514500 0.159986 C\n0.586045 0.254839 0.164774 C\n0.158128 0.546454 0.188924 C\n0.757865 0.426701 0.235965 C\n0.864101 0.842558 0.241864 C\n0.635900 0.342558 0.258136 C\n0.742135 0.926702 0.264035 C\n0.341873 0.046453 0.311076 C\n0.913955 0.754839 0.335226 C\n0.184658 0.014500 0.340013 C\n0.081875 0.119231 0.342308 C\n0.727039 0.282959 0.369429 C\n0.524721 0.721077 0.443754 C\n0.241700 0.961088 0.456124 C\n0.167031 0.432357 0.460772 C\n0.832968 0.567643 0.539228 C\n0.758300 0.038911 0.543876 C\n0.475279 0.278923 0.556245 C\n0.272959 0.717041 0.630570 C\n0.918124 0.880769 0.657692 C\n0.815342 0.985500 0.659986 C\n0.086044 0.245161 0.664774 C\n0.658126 0.953547 0.688924 C\n0.257864 0.073299 0.735965 C\n0.364101 0.657442 0.741865 C\n0.135899 0.157442 0.758135 C\n0.242136 0.573299 0.764035 C\n0.841872 0.453546 0.811076 C\n0.413954 0.745161 0.835225 C\n0.684658 0.485499 0.840013 C\n0.581875 0.380769 0.842308 C\n0.227041 0.217041 0.869429 C\n0.024721 0.778923 0.943755 C\n0.741701 0.538911 0.956123 C\n0.667032 0.067643 0.960771 C\n0.367153 0.441114 0.017607 H\n0.059389 0.724355 0.017636 H\n0.824860 0.480912 0.018567 H\n0.617021 0.084374 0.028221 H\n0.185837 0.384047 0.040119 H\n0.739397 0.840210 0.058957 H\n0.378097 0.014913 0.074331 H\n0.533355 0.291613 0.080666 H\n0.340475 0.677201 0.092687 H\n0.114259 0.224846 0.098073 H\n0.389351 0.870170 0.105187 H\n0.914748 0.255994 0.112841 H\n0.852342 0.716110 0.115625 H\n0.075676 0.603924 0.125744 H\n0.654462 0.744531 0.132222 H\n0.532063 0.599265 0.137378 H\n0.702461 0.466216 0.153519 H\n0.700173 0.206716 0.168291 H\n0.492308 0.194902 0.174220 H\n0.080353 0.473195 0.191389 H\n0.703504 0.992963 0.200493 H\n0.305724 0.088252 0.229400 H\n0.183711 0.816900 0.233585 H\n0.875754 0.384255 0.237506 H\n0.458859 0.664475 0.237532 H\n0.041142 0.164475 0.262468 H\n0.624246 0.884255 0.262494 H\n0.316289 0.316901 0.266415 H\n0.194275 0.588251 0.270599 H\n0.796497 0.492963 0.299507 H\n0.419648 0.973194 0.308611 H\n0.007690 0.694902 0.325779 H\n0.799827 0.706716 0.331709 H\n0.797539 0.966216 0.346480 H\n0.967939 0.099266 0.362623 H\n0.845539 0.244531 0.367778 H\n0.424324 0.103923 0.374256 H\n0.647658 0.216109 0.384374 H\n0.585254 0.755994 0.387159 H\n0.110650 0.370170 0.394813 H\n0.385741 0.724846 0.401927 H\n0.159526 0.177200 0.407313 H\n0.966646 0.791613 0.419334 H\n0.121903 0.514914 0.425669 H\n0.760603 0.340211 0.441043 H\n0.314163 0.884046 0.459880 H\n0.882979 0.584373 0.471779 H\n0.675140 0.980912 0.481433 H\n0.440612 0.224354 0.482363 H\n0.132846 0.941113 0.482393 H\n0.867154 0.058886 0.517607 H\n0.559389 0.775645 0.517637 H\n0.324859 0.019087 0.518566 H\n0.117020 0.415627 0.528220 H\n0.685836 0.115954 0.540119 H\n0.239396 0.659789 0.558956 H\n0.878098 0.485087 0.574331 H\n0.033355 0.208388 0.580666 H\n0.840475 0.822800 0.592687 H\n0.614260 0.275154 0.598073 H\n0.889349 0.629830 0.605187 H\n0.414746 0.244006 0.612840 H\n0.352342 0.783891 0.615626 H\n0.575676 0.896077 0.625744 H\n0.154462 0.755469 0.632223 H\n0.032062 0.900735 0.637377 H\n0.202461 0.033783 0.653520 H\n0.200173 0.293285 0.668291 H\n0.992308 0.305098 0.674221 H\n0.580353 0.026806 0.691389 H\n0.203504 0.507037 0.700493 H\n0.805725 0.411749 0.729400 H\n0.683711 0.683099 0.733585 H\n0.375754 0.115745 0.737506 H\n0.958858 0.835525 0.737533 H\n0.541142 0.335525 0.762468 H\n0.124247 0.615745 0.762494 H\n0.816290 0.183099 0.766415 H\n0.694276 0.911748 0.770600 H\n0.296498 0.007037 0.799507 H\n0.919647 0.526806 0.808611 H\n0.507691 0.805099 0.825780 H\n0.299826 0.793284 0.831709 H\n0.297539 0.533784 0.846480 H\n0.467938 0.400736 0.862622 H\n0.345538 0.255469 0.867777 H\n0.924325 0.396077 0.874256 H\n0.147658 0.283890 0.884375 H\n0.085253 0.744006 0.887159 H\n0.610650 0.129830 0.894813 H\n0.885740 0.775154 0.901927 H\n0.659524 0.322799 0.907313 H\n0.466646 0.708388 0.919334 H\n0.621903 0.985087 0.925669 H\n0.260602 0.159790 0.941043 H\n0.814164 0.615953 0.959881 H\n0.382978 0.915627 0.971779 H\n0.175140 0.519088 0.981434 H\n0.940610 0.275645 0.982363 H\n0.632847 0.558886 0.982393 H\n0.016293 0.969183 0.095761 N\n0.483705 0.469182 0.404239 N\n0.516293 0.530817 0.595761 N\n0.983706 0.030817 0.904238 N\n0.903954 0.076397 0.008059 Si\n0.061598 0.910963 0.227059 Si\n0.438401 0.410963 0.272941 Si\n0.596047 0.576397 0.491941 Si\n0.403953 0.423603 0.508059 Si\n0.561598 0.589038 0.727059 Si\n0.938402 0.089037 0.772941 Si\n0.096047 0.923603 0.991942 Si\n",
"nsites": 152,
"nelements": 4,
"elements": [
"C",
"H",
"N",
"Si"
],
"chemical_system": "C-H-N-Si",
"density": 1.192973020450196,
"density_atomic": 0.12669273301659442,
"volume": 1199.7531064397417,
"volume_molar": 4.753343476465386,
"formula_full": "Si8 H100 C40 N4",
"formula_reduced": "Si2H25C10N",
"formula_anonymous": "AB2C10D25",
"formation_energy": -0.210422371051261,
"spacegroup": 14
}
]
}