Collection: twodmaterials, Doc: 2dm-829

Formula: MoS2

Discovery Process: Element substitution from 2D material
Obtained from 2D: 2dm-3497

Exfoliation energy: meV/atom
Decomposition energy: 186.3 meV/atom

a: 3.19 Å
b: 5.74 Å

(c: 24.19 Å)

Spacegroup: P2_1/m

Magnetic moment: 0.0 μB/unit cell

Bandgap: 43.6 meV (direct) (PBE)

VASP inputs

Bandstructure and Density of States

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