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{
"id": "jvasp-31620",
"created_at": "2022-09-04T14:36:39.611354Z",
"updated_at": "2022-09-04T14:36:39.611374Z",
"structure_string": "Nb6 B6 C2\n1.0\n3.144394 0.000000 0.000000\n0.000000 3.277465 -0.372690\n0.000000 -0.003363 14.567899\nNb B C\n6 6 2\ndirect\n0.250000 0.453246 0.906492 Nb\n0.749999 0.546754 0.093508 Nb\n0.250000 0.787309 0.574619 Nb\n0.749999 0.212690 0.425381 Nb\n0.749999 0.362085 0.724170 Nb\n0.250000 0.637914 0.275830 Nb\n0.250000 0.015426 0.030852 B\n0.749999 0.984573 0.969148 B\n0.250000 0.888401 0.776803 B\n0.749999 0.111598 0.223197 B\n0.250000 0.078841 0.157683 B\n0.749999 0.921158 0.842317 B\n0.250000 0.712163 0.424326 C\n0.749999 0.287836 0.575674 C\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Nb",
"B",
"C"
],
"chemical_system": "B-C-Nb",
"density": 7.148912255098433,
"density_atomic": 0.09325400509284636,
"volume": 150.12760026833377,
"volume_molar": 6.457782434120856,
"formula_full": "Nb6 B6 C2",
"formula_reduced": "Nb3B3C",
"formula_anonymous": "AB3C3",
"energy_above_hull": 5.763617992857143,
"spacegroup": 63
}
]
}