Collection: 2dmaterials, Doc: 2dm-3409

Formula: MoSe2

Discovery Process: Exfoliation from layered material
Obtained from 3D: mp-1634

Exfoliation energy: 78.3 meV/atom
Decomposition energy: 1.9 meV/atom

a: 3.33 Å
b: 3.33 Å

(c: 23.35 Å)

Spacegroup: P-6m2

Magnetic moment: 0.0 μB/unit cell

Bandgap: 1423.8 meV (direct) (PBE)

VASP inputs

Bandstructure and Density of States

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