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"formula_anonymous": "A",
"energy_above_hull": 0.6403402825,
"spacegroup": 223
},
{
"id": "jvasp-8790",
"created_at": "2022-09-04T14:37:04.621146Z",
"updated_at": "2022-09-04T14:37:04.621164Z",
"structure_string": "Ba2 Nb1 O1\n1.0\n5.486346 -0.000000 0.000000\n2.743173 4.751314 0.000000\n2.743173 1.583771 4.479583\nBa Nb O\n2 1 1\ndirect\n0.750000 0.749999 0.750000 Ba\n0.250000 0.250000 0.250000 Ba\n0.000000 0.000000 0.000000 Nb\n0.500000 0.500000 0.500000 O\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Nb",
"O"
],
"chemical_system": "Ba-Nb-O",
"density": 5.454408299485902,
"density_atomic": 0.03425511877534985,
"volume": 116.77086937670816,
"volume_molar": 17.58026530135275,
"formula_full": "Ba2 Nb1 O1",
"formula_reduced": "Ba2NbO",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.93562871,
"spacegroup": 225
}
]
}