Collection: 2dmaterials, Doc: 2dm-3635

Formula: Nb(SCl)2

Discovery Process: Exfoliation from layered material
Obtained from 3D: mp-27362

Exfoliation energy: 68.5 meV/atom
Decomposition energy: 0.0 meV/atom

a: 6.31 Å
b: 6.41 Å

(c: 24.08 Å)

Spacegroup: C2/m

Magnetic moment: 0.0 μB/unit cell

Bandgap: 1820.7 meV (indirect) (PBE)

VASP inputs

Bandstructure and Density of States

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