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"created_at": "2022-09-04T14:38:43.697758Z",
"updated_at": "2022-09-04T14:38:43.697787Z",
"structure_string": "H11 C13 N1\n1.0\n3.666180 0.090213 -1.242235\n-2.879892 5.437503 -2.312039\n0.108989 -0.542644 10.833502\nH C N\n11 13 1\ndirect\n0.511297 0.852667 0.325934 H\n0.537571 0.897970 0.562852 H\n0.801449 0.027523 0.020428 H\n0.573574 0.159948 0.201964 H\n0.618008 0.213001 0.444620 H\n0.349206 0.189163 0.584917 H\n0.628190 0.358446 0.060051 H\n0.323935 0.728295 0.087551 H\n0.861991 0.846747 0.184113 H\n0.803532 0.986224 0.787372 H\n0.357950 0.232512 0.819862 H\n0.577653 0.634065 0.938762 C\n0.551906 0.736254 0.486099 C\n0.702544 0.818227 0.791873 C\n0.532065 0.709718 0.349876 C\n0.574692 0.557653 0.523547 C\n0.581415 0.583613 0.665943 C\n0.557350 0.319734 0.280035 C\n0.459023 0.400343 0.814942 C\n0.580363 0.349902 0.416801 C\n0.459117 0.376020 0.681037 C\n0.699886 0.842131 0.924408 C\n0.572409 0.678831 0.085566 C\n0.531570 0.499481 0.243085 C\n0.501820 0.465699 0.104085 N\n",
"nsites": 25,
"nelements": 3,
"elements": [
"H",
"C",
"N"
],
"chemical_system": "C-H-N",
"density": 1.4132078755895123,
"density_atomic": 0.1173976342417517,
"volume": 212.95148033833985,
"volume_molar": 5.12969515859142,
"formula_full": "H11 C13 N1",
"formula_reduced": "H11C13N",
"formula_anonymous": "AB11C13",
"energy_above_hull": 5.71794853,
"spacegroup": 1
}
]
}