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"created_at": "2022-09-04T14:49:16.934389Z",
"updated_at": "2022-09-04T14:49:16.934412Z",
"structure_string": "Al8 H96 C24 N24\n1.0\n6.438892 5.338383 0.049686\n-6.438892 5.338383 -0.049686\n-2.055477 0.000000 15.406219\nAl C H N\n8 24 96 24\ndirect\n0.918863 0.805989 0.114095 Al\n0.434893 0.434893 0.250000 Al\n0.703049 0.703049 0.250000 Al\n0.805989 0.918863 0.385904 Al\n0.194010 0.081135 0.614096 Al\n0.296952 0.296952 0.750000 Al\n0.565106 0.565107 0.750000 Al\n0.081136 0.194009 0.885904 Al\n0.126998 0.187232 0.011766 C\n0.348345 0.569524 0.043192 C\n0.691594 0.104205 0.060450 C\n0.006793 0.433559 0.144683 C\n0.143395 0.856934 0.169782 C\n0.447153 0.254609 0.180007 C\n0.254608 0.447153 0.319993 C\n0.856934 0.143395 0.330218 C\n0.433559 0.006794 0.355317 C\n0.104205 0.691594 0.439550 C\n0.569525 0.348345 0.456807 C\n0.187232 0.126998 0.488234 C\n0.812766 0.873003 0.511766 C\n0.430476 0.651655 0.543192 C\n0.895794 0.308406 0.560450 C\n0.566440 0.993206 0.644683 C\n0.143067 0.856605 0.669783 C\n0.745392 0.552848 0.680007 C\n0.552848 0.745391 0.819993 C\n0.856606 0.143066 0.830218 C\n0.993206 0.566440 0.855317 C\n0.308405 0.895794 0.939551 C\n0.651656 0.430475 0.956808 C\n0.873002 0.812767 0.988235 C\n0.585353 0.131920 0.018545 H\n0.784089 0.082689 0.019401 H\n0.632319 0.434378 0.025279 H\n0.254985 0.178720 0.031580 H\n0.105389 0.301288 0.033761 H\n0.254736 0.645368 0.048180 H\n0.051367 0.087979 0.048685 H\n0.549308 0.746882 0.066168 H\n0.302045 0.444576 0.068587 H\n0.945964 0.419382 0.078726 H\n0.743935 0.211330 0.097071 H\n0.486879 0.301349 0.115559 H\n0.721129 0.552146 0.121138 H\n0.238285 0.882299 0.123506 H\n0.115127 0.529325 0.140172 H\n0.555323 0.979531 0.155851 H\n0.047624 0.318738 0.168927 H\n0.330661 0.170731 0.169669 H\n0.407707 0.718924 0.183485 H\n0.831172 0.008407 0.204914 H\n0.163433 0.964326 0.207997 H\n0.534394 0.178829 0.210764 H\n0.166092 0.750750 0.214082 H\n0.819651 0.371423 0.220543 H\n0.371423 0.819651 0.279457 H\n0.750749 0.166093 0.285918 H\n0.178829 0.534394 0.289236 H\n0.964326 0.163433 0.292004 H\n0.008406 0.831172 0.295086 H\n0.718923 0.407708 0.316515 H\n0.170732 0.330660 0.330331 H\n0.318739 0.047623 0.331074 H\n0.979531 0.555323 0.344149 H\n0.529326 0.115126 0.359827 H\n0.882300 0.238285 0.376495 H\n0.552146 0.721129 0.378862 H\n0.301348 0.486880 0.384441 H\n0.211330 0.743935 0.402929 H\n0.419381 0.945965 0.421274 H\n0.444576 0.302045 0.431413 H\n0.746882 0.549308 0.433832 H\n0.087978 0.051368 0.451315 H\n0.645369 0.254735 0.451820 H\n0.301288 0.105389 0.466240 H\n0.178720 0.254985 0.468420 H\n0.434377 0.632320 0.474720 H\n0.082689 0.784089 0.480600 H\n0.131921 0.585353 0.481456 H\n0.868081 0.414648 0.518545 H\n0.917312 0.215911 0.519401 H\n0.565622 0.367680 0.525279 H\n0.821280 0.745014 0.531580 H\n0.698710 0.894611 0.533761 H\n0.354632 0.745264 0.548181 H\n0.912022 0.948633 0.548685 H\n0.253117 0.450691 0.566167 H\n0.555425 0.697955 0.568587 H\n0.580618 0.054035 0.578726 H\n0.788670 0.256065 0.597071 H\n0.698652 0.513121 0.615559 H\n0.447855 0.278873 0.621138 H\n0.117701 0.761715 0.623505 H\n0.470675 0.884874 0.640172 H\n0.020467 0.444677 0.655851 H\n0.681261 0.952376 0.668927 H\n0.829269 0.669341 0.669669 H\n0.281076 0.592291 0.683485 H\n0.991595 0.168828 0.704915 H\n0.035673 0.836567 0.707997 H\n0.821171 0.465606 0.710764 H\n0.249251 0.833909 0.714082 H\n0.628577 0.180349 0.720543 H\n0.180350 0.628577 0.779457 H\n0.833908 0.249251 0.785917 H\n0.465606 0.821171 0.789236 H\n0.836567 0.035673 0.792004 H\n0.168828 0.991595 0.795085 H\n0.592291 0.281076 0.816515 H\n0.669340 0.829269 0.830331 H\n0.952376 0.681261 0.831073 H\n0.444677 0.020468 0.844148 H\n0.884873 0.470676 0.859827 H\n0.761716 0.117700 0.876495 H\n0.278873 0.447855 0.878862 H\n0.513120 0.698653 0.884442 H\n0.256065 0.788671 0.902929 H\n0.054036 0.580617 0.921274 H\n0.697955 0.555424 0.931413 H\n0.450691 0.253117 0.933832 H\n0.948633 0.912022 0.951316 H\n0.745264 0.354633 0.951820 H\n0.894611 0.698710 0.966239 H\n0.745015 0.821280 0.968421 H\n0.367679 0.565622 0.974720 H\n0.215912 0.917311 0.980600 H\n0.414649 0.868081 0.981456 H\n0.503695 0.627809 0.088942 N\n0.639244 0.958354 0.115526 N\n0.812223 0.598622 0.167165 N\n0.773743 0.910355 0.171186 N\n0.486800 0.639283 0.179569 N\n0.902045 0.474978 0.205026 N\n0.474978 0.902045 0.294974 N\n0.639283 0.486799 0.320431 N\n0.910356 0.773742 0.328815 N\n0.598622 0.812223 0.332836 N\n0.958353 0.639245 0.384474 N\n0.627809 0.503695 0.411057 N\n0.372189 0.496304 0.588943 N\n0.041647 0.360754 0.615526 N\n0.401378 0.187778 0.667164 N\n0.089645 0.226258 0.671185 N\n0.360718 0.513201 0.679569 N\n0.525024 0.097955 0.705026 N\n0.097957 0.525022 0.794973 N\n0.513201 0.360717 0.820431 N\n0.226258 0.089645 0.828814 N\n0.187778 0.401378 0.832836 N\n0.360755 0.041646 0.884474 N\n0.496304 0.372190 0.911057 N\n",
"nsites": 152,
"nelements": 4,
"elements": [
"Al",
"C",
"H",
"N"
],
"chemical_system": "Al-C-H-N",
"density": 1.4676069744083011,
"density_atomic": 0.1433671876447164,
"volume": 1060.2147011258733,
"volume_molar": 4.200501425000881,
"formula_full": "Al8 H96 C24 N24",
"formula_reduced": "AlH12(CN)3",
"formula_anonymous": "AB3C3D12",
"formation_energy": -0.167889012683717,
"spacegroup": 15
}
]
}