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"created_at": "2022-09-04T14:36:10.747686Z",
"updated_at": "2022-09-04T14:36:10.747726Z",
"structure_string": "Nb6 Cr2 Se12\n1.0\n3.033292 -5.253814 0.000000\n3.033292 5.253814 -0.000000\n-0.000000 0.000000 12.741257\nNb Cr Se\n6 2 12\ndirect\n0.666667 0.333333 0.000006 Nb\n0.000000 0.000000 0.000000 Nb\n0.000000 0.000000 0.500000 Nb\n0.666667 0.333333 0.499994 Nb\n0.333333 0.666667 -0.000006 Nb\n0.333333 0.666667 0.500006 Nb\n0.666667 0.333333 0.750000 Cr\n0.333333 0.666667 0.250000 Cr\n0.333285 0.004594 0.132312 Se\n0.333285 0.328691 0.367688 Se\n0.995405 0.666714 0.367688 Se\n0.004594 0.333285 0.867688 Se\n0.328691 0.333285 0.632313 Se\n0.671308 0.004594 0.367688 Se\n0.666714 0.995405 0.632313 Se\n0.666714 0.671308 0.867688 Se\n0.995405 0.328691 0.132312 Se\n0.328691 0.995405 0.867688 Se\n0.004594 0.671308 0.632313 Se\n0.671308 0.666714 0.132312 Se\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Nb",
"Cr",
"Se"
],
"chemical_system": "Cr-Nb-Se",
"density": 6.579010666012604,
"density_atomic": 0.04924915812941737,
"volume": 406.0983123293971,
"volume_molar": 12.227905996230364,
"formula_full": "Nb6 Cr2 Se12",
"formula_reduced": "Nb3CrSe6",
"formula_anonymous": "AB3C6",
"energy_above_hull": 3.46427558,
"spacegroup": 182
}
]
}