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{
"id": "jvasp-112392",
"created_at": "2022-09-04T14:38:39.596991Z",
"updated_at": "2022-09-04T14:38:39.597017Z",
"structure_string": "Ba6 W2 N6\n1.0\n8.364936 -0.000067 0.000000\n-4.182427 7.244287 0.000000\n-0.000000 -0.000000 5.674192\nBa W N\n6 2 6\ndirect\n0.903432 0.643658 0.250000 Ba\n0.740226 0.096568 0.250000 Ba\n0.356341 0.259773 0.250000 Ba\n0.096568 0.356342 0.750000 Ba\n0.259774 0.903432 0.750000 Ba\n0.643659 0.740227 0.750000 Ba\n0.666667 0.333335 0.750000 W\n0.333333 0.666665 0.250000 W\n0.878166 0.567103 0.750000 N\n0.688936 0.121835 0.750000 N\n0.432898 0.311063 0.750000 N\n0.121834 0.432897 0.250000 N\n0.311064 0.878165 0.250000 N\n0.567102 0.688937 0.250000 N\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Ba",
"W",
"N"
],
"chemical_system": "Ba-N-W",
"density": 6.160717635932042,
"density_atomic": 0.04071624760353775,
"volume": 343.8430804410269,
"volume_molar": 14.790510212627623,
"formula_full": "Ba6 W2 N6",
"formula_reduced": "Ba3WN3",
"formula_anonymous": "AB3C3",
"energy_above_hull": 3.56379538,
"spacegroup": 176
}
]
}