Collection: 2dmaterials, Doc: 2dm-3668

Formula: Nb2Te6I

Discovery Process: Exfoliation from layered material
Obtained from 3D: mp-28745

Exfoliation energy: 107.2 meV/atom
Decomposition energy: 6.5 meV/atom

a: 9.31 Å
b: 9.73 Å

(c: 25.38 Å)

Spacegroup: P-1

Magnetic moment: -0.0 μB/unit cell

Bandgap: 725.8 meV (indirect) (PBE)

VASP inputs

Bandstructure and Density of States

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