Collection: 2dmaterials, Doc: 2dm-2497

Formula: BiI3

Discovery Process: Element substitution from 2D material
Obtained from 2D: 2dm-5268

Exfoliation energy: 127.9 meV/atom
Decomposition energy: 354.4 meV/atom

a: 5.53 Å
b: 5.53 Å

(c: 24.62 Å)

Spacegroup: P-6m2

Magnetic moment: -0.0 μB/unit cell

Bandgap: 881.5 meV (direct) (PBE)

VASP inputs

Bandstructure and Density of States

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