Collection: 2dmaterials, Doc: 2dm-3871

Formula: Nb2CS2

Discovery Process: Exfoliation from layered material
Obtained from 3D: mp-4384

Exfoliation energy: 54.1 meV/atom
Decomposition energy: 22.2 meV/atom

a: 3.30 Å
b: 3.30 Å

(c: 25.71 Å)

Spacegroup: P-3m1

Magnetic moment: 2.68e-05 μB/unit cell

Bandgap: 186.1 meV (indirect) (PBE)

VASP inputs

Bandstructure and Density of States

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