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"created_at": "2022-09-04T15:17:19.853432Z",
"updated_at": "2022-09-04T15:17:19.853451Z",
"structure_string": "Mg8 B16 H112 N16\n1.0\n16.881504 0.000000 0.000000\n0.000000 9.084681 0.000000\n0.000000 0.000000 8.324653\nB H Mg N\n16 112 8 16\ndirect\n0.390381 0.535019 0.161834 B\n0.890381 0.964980 0.161834 B\n0.636792 0.086575 0.203033 B\n0.136791 0.413425 0.203033 B\n0.636792 0.586575 0.296967 B\n0.136791 0.913424 0.296967 B\n0.390381 0.035018 0.338167 B\n0.890381 0.464982 0.338167 B\n0.109619 0.535019 0.661833 B\n0.609619 0.964980 0.661833 B\n0.863209 0.086575 0.703032 B\n0.363209 0.413425 0.703032 B\n0.863209 0.586575 0.796967 B\n0.363209 0.913424 0.796967 B\n0.109619 0.035018 0.838167 B\n0.609619 0.464982 0.838167 B\n0.973580 0.746623 0.030776 H\n0.473580 0.753378 0.030776 H\n0.228127 0.628340 0.037560 H\n0.728127 0.871659 0.037560 H\n0.644852 0.053586 0.063537 H\n0.144851 0.446414 0.063537 H\n0.443253 0.508586 0.063682 H\n0.943253 0.991415 0.063682 H\n0.731942 0.237183 0.067940 H\n0.231942 0.262817 0.067940 H\n0.471521 0.150895 0.096416 H\n0.971521 0.349106 0.096416 H\n0.034434 0.618331 0.096677 H\n0.534433 0.881669 0.096677 H\n0.324448 0.501270 0.109776 H\n0.824448 0.998730 0.109776 H\n0.303134 0.160774 0.145176 H\n0.803133 0.339226 0.145176 H\n0.390436 0.667326 0.183980 H\n0.890435 0.832674 0.183980 H\n0.692026 0.538428 0.215333 H\n0.192026 0.961573 0.215333 H\n0.634513 0.221536 0.216995 H\n0.134512 0.278464 0.216995 H\n0.902831 0.537222 0.217048 H\n0.402830 0.962779 0.217048 H\n0.574102 0.536567 0.243604 H\n0.074102 0.963432 0.243604 H\n0.574102 0.036568 0.256396 H\n0.074102 0.463432 0.256396 H\n0.902831 0.037222 0.282951 H\n0.402830 0.462779 0.282951 H\n0.634513 0.721536 0.283005 H\n0.134512 0.778463 0.283005 H\n0.692026 0.038428 0.284667 H\n0.192026 0.461573 0.284667 H\n0.390436 0.167326 0.316019 H\n0.890435 0.332674 0.316019 H\n0.303134 0.660774 0.354824 H\n0.803133 0.839226 0.354824 H\n0.324448 0.001271 0.390223 H\n0.824448 0.498729 0.390223 H\n0.034434 0.118331 0.403323 H\n0.534433 0.381668 0.403323 H\n0.471521 0.650895 0.403584 H\n0.971521 0.849106 0.403584 H\n0.731942 0.737183 0.432060 H\n0.231942 0.762817 0.432060 H\n0.443253 0.008585 0.436317 H\n0.943253 0.491415 0.436317 H\n0.644852 0.553586 0.436464 H\n0.144851 0.946414 0.436464 H\n0.228127 0.128340 0.462440 H\n0.728127 0.371660 0.462440 H\n0.973580 0.246622 0.469223 H\n0.473580 0.253378 0.469223 H\n0.526420 0.746623 0.530776 H\n0.026419 0.753378 0.530776 H\n0.271873 0.628340 0.537560 H\n0.771873 0.871659 0.537560 H\n0.855148 0.053586 0.563536 H\n0.355148 0.446414 0.563536 H\n0.056747 0.508586 0.563682 H\n0.556747 0.991415 0.563682 H\n0.768058 0.237183 0.567940 H\n0.268058 0.262817 0.567940 H\n0.028479 0.150895 0.596416 H\n0.528479 0.349106 0.596416 H\n0.465567 0.618331 0.596677 H\n0.965567 0.881669 0.596677 H\n0.175552 0.501270 0.609777 H\n0.675552 0.998730 0.609777 H\n0.196866 0.160774 0.645175 H\n0.696866 0.339226 0.645175 H\n0.109564 0.667326 0.683980 H\n0.609564 0.832674 0.683980 H\n0.807974 0.538428 0.715333 H\n0.307974 0.961573 0.715333 H\n0.865487 0.221536 0.716996 H\n0.365488 0.278464 0.716996 H\n0.597170 0.537222 0.717050 H\n0.097169 0.962779 0.717050 H\n0.925897 0.536567 0.743603 H\n0.425898 0.963432 0.743603 H\n0.925897 0.036568 0.756395 H\n0.425898 0.463432 0.756395 H\n0.597170 0.037222 0.782952 H\n0.097169 0.462779 0.782952 H\n0.865487 0.721536 0.783004 H\n0.365488 0.778463 0.783004 H\n0.807974 0.038428 0.784667 H\n0.307974 0.461573 0.784667 H\n0.109564 0.167326 0.816020 H\n0.609564 0.332674 0.816020 H\n0.196866 0.660774 0.854825 H\n0.696866 0.839226 0.854825 H\n0.175552 0.001271 0.890223 H\n0.675552 0.498729 0.890223 H\n0.465567 0.118331 0.903323 H\n0.965567 0.381668 0.903323 H\n0.028479 0.650895 0.903584 H\n0.528479 0.849106 0.903584 H\n0.768058 0.737183 0.932059 H\n0.268058 0.762817 0.932059 H\n0.056747 0.008585 0.936318 H\n0.556747 0.491415 0.936318 H\n0.855148 0.553586 0.936463 H\n0.355148 0.946414 0.936463 H\n0.271873 0.128340 0.962440 H\n0.771873 0.371660 0.962440 H\n0.526420 0.246622 0.969224 H\n0.026419 0.253378 0.969224 H\n0.623587 0.649005 0.037889 Mg\n0.123587 0.850996 0.037889 Mg\n0.623587 0.149004 0.462112 Mg\n0.123587 0.350996 0.462112 Mg\n0.876412 0.649005 0.537888 Mg\n0.376413 0.850996 0.537888 Mg\n0.876412 0.149004 0.962111 Mg\n0.376413 0.350996 0.962111 Mg\n0.028778 0.701602 0.013789 N\n0.528779 0.798398 0.013789 N\n0.284735 0.211796 0.041311 N\n0.784735 0.288204 0.041311 N\n0.284735 0.711797 0.458689 N\n0.784735 0.788203 0.458689 N\n0.028778 0.201602 0.486211 N\n0.528779 0.298398 0.486211 N\n0.471222 0.701602 0.513788 N\n0.971222 0.798398 0.513788 N\n0.215265 0.211796 0.541310 N\n0.715265 0.288204 0.541310 N\n0.215265 0.711797 0.958689 N\n0.715265 0.788203 0.958689 N\n0.471222 0.201602 0.986210 N\n0.971222 0.298398 0.986210 N\n",
"nsites": 152,
"nelements": 4,
"elements": [
"B",
"H",
"Mg",
"N"
],
"chemical_system": "B-H-Mg-N",
"density": 0.9161976667341835,
"density_atomic": 0.11905746472215518,
"volume": 1276.6944126915764,
"volume_molar": 5.058179908377766,
"formula_full": "Mg8 B16 H112 N16",
"formula_reduced": "MgB2(H7N)2",
"formula_anonymous": "AB2C2D14",
"formation_energy": -0.336255191272744,
"spacegroup": 61
}
]
}