Collection: 2dmaterials, Doc: 2dm-5814

Formula: MoBr2

Discovery Process: Exfoliation from layered material
Obtained from 3D: mp-29555

Exfoliation energy: 77.1 meV/atom
Decomposition energy: 0.0 meV/atom

a: 11.93 Å
b: 11.93 Å

(c: 28.92 Å)

Spacegroup: P4/mbm

Magnetic moment: 0.000333 μB/unit cell

Bandgap: 2048.1 meV (indirect) (PBE)

VASP inputs

Bandstructure and Density of States

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