Collection: 2dmaterials, Doc: 2dm-3188

Formula: Mo(BrO)2

Discovery Process: Exfoliation from layered material
Obtained from 3D: mp-1080460

Exfoliation energy: 49.8 meV/atom
Decomposition energy: 39.3 meV/atom

a: 3.92 Å
b: 7.74 Å

(c: 24.87 Å)

Spacegroup: Pmc2_1

Magnetic moment: -0.0 μB/unit cell

Bandgap: 1162.5 meV (indirect) (PBE)

VASP inputs

Bandstructure and Density of States

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