Collection: twodmaterials, Doc: 2dm-4111

Formula: NbSe3

Discovery Process: Exfoliation from layered material
Obtained from 3D: mp-525

Exfoliation energy: 57.6 meV/atom
Decomposition energy: 0.0 meV/atom

a: 3.52 Å
b: 15.84 Å

(c: 27.99 Å)

Spacegroup: P2_1/m

Magnetic moment: 2.63e-05 μB/unit cell

Bandgap: 0.0 meV (PBE)

VASP inputs

Bandstructure and Density of States

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