Collection: 2dmaterials, Doc: 2dm-3150

Formula: MoS2

Discovery Process: Exfoliation from layered material
Obtained from 3D: mp-2815

Exfoliation energy: 76.3 meV/atom
Decomposition energy: 2.1 meV/atom

a: 3.20 Å
b: 3.20 Å

(c: 23.13 Å)

Spacegroup: P-6m2

Magnetic moment: 0.0 μB/unit cell

Bandgap: 1653.3 meV (direct) (PBE)

VASP inputs

Bandstructure and Density of States

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