Collection: twodmaterials, Doc: 2dm-75

Formula: BN3

Discovery Process: Element substitution from 2D material
Obtained from 2D:

Exfoliation energy: 69.4 meV/atom
Decomposition energy: 782.5 meV/atom

a: 4.79 Å
b: 4.79 Å

(c: 21.20 Å)

Spacegroup: P-3m1

Magnetic moment: 0.0 μB/unit cell

Bandgap: 1263.9 meV (indirect) (PBE)

VASP inputs

Bandstructure and Density of States

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