Collection: 2dmaterials, Doc: 2dm-3594

Formula: WSe2

Discovery Process: Exfoliation from layered material
Obtained from 3D: mp-1821

Exfoliation energy: 77.7 meV/atom
Decomposition energy: 1.7 meV/atom

a: 3.33 Å
b: 3.33 Å

(c: 23.36 Å)

Spacegroup: P-6m2

Magnetic moment: -0.0 μB/unit cell

Bandgap: 1527.2 meV (direct) (PBE)

VASP inputs

Bandstructure and Density of States

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