Collection: 2dmaterials, Doc: 2dm-3529

Formula: Nb(SeCl)2

Discovery Process: Exfoliation from layered material
Obtained from 3D: mp-27361

Exfoliation energy: 69.0 meV/atom
Decomposition energy: 4.9 meV/atom

a: 6.38 Å
b: 6.57 Å

(c: 24.39 Å)

Spacegroup: C2/m

Magnetic moment: -0.0 μB/unit cell

Bandgap: 1070.5 meV (direct) (PBE)

VASP inputs

Bandstructure and Density of States

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