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"structure_string": "K4 W4 O14\n1.0\n3.899232 0.002712 0.000000\n-0.037211 6.075912 0.000000\n0.000000 0.000000 13.691078\nK W O\n4 4 14\ndirect\n0.009146 0.330117 0.331231 K\n0.990852 0.169884 0.831230 K\n0.990853 0.669883 0.668769 K\n0.009147 0.830116 0.168770 K\n0.461329 0.716503 0.932685 W\n0.538671 0.283497 0.067315 W\n0.461328 0.216503 0.567314 W\n0.538672 0.783496 0.432686 W\n0.010097 0.275842 0.055912 O\n0.010095 0.775842 0.444089 O\n0.989903 0.724157 0.944088 O\n0.496112 0.812613 0.809622 O\n0.500001 0.500000 0.500000 O\n0.502846 0.088716 0.416938 O\n0.497154 0.411282 0.916937 O\n0.497154 0.911281 0.583062 O\n0.502846 0.588718 0.083063 O\n0.496112 0.312613 0.690379 O\n0.503887 0.187387 0.190378 O\n0.503887 0.687386 0.309621 O\n0.500001 0.000001 0.000000 O\n0.989905 0.224158 0.555911 O\n",
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"created_at": "2022-09-04T14:37:01.544487Z",
"updated_at": "2022-09-04T14:37:01.544503Z",
"structure_string": "Mg2 C8 N12\n1.0\n5.953985 0.000000 0.000000\n0.000000 7.095848 0.000000\n0.000000 0.000000 7.555913\nMg C N\n2 8 12\ndirect\n0.500000 0.500000 0.500000 Mg\n0.000000 0.000000 0.000000 Mg\n0.733918 0.145497 0.651662 C\n0.233917 0.354503 0.848337 C\n0.733918 0.145497 0.348338 C\n0.233917 0.354503 0.151662 C\n0.766084 0.645497 0.151662 C\n0.266083 0.854503 0.348338 C\n0.266083 0.854503 0.651662 C\n0.766084 0.645497 0.848337 C\n0.785058 0.094649 0.793413 N\n0.285058 0.405352 0.706586 N\n0.714943 0.594649 0.706586 N\n0.214942 0.905352 0.793413 N\n0.214942 0.905352 0.206587 N\n0.833051 0.713680 0.000000 N\n0.285058 0.405352 0.293413 N\n0.785058 0.094649 0.206587 N\n0.333050 0.786321 0.500000 N\n0.666951 0.213679 0.500000 N\n0.714943 0.594649 0.293413 N\n0.166950 0.286321 0.000000 N\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Mg",
"C",
"N"
],
"chemical_system": "C-Mg-N",
"density": 1.626984928577334,
"density_atomic": 0.06891657597414719,
"volume": 319.2265385943275,
"volume_molar": 8.738305226102787,
"formula_full": "Mg2 C8 N12",
"formula_reduced": "Mg(C2N3)2",
"formula_anonymous": "AB4C6",
"energy_above_hull": 5.961610777272727,
"spacegroup": 58
}
]
}