Collection: twodmaterials, Doc: 2dm-4558

Formula: HfNCl

Discovery Process: Exfoliation from layered material
Obtained from 3D: mp-541911

Exfoliation energy: 34.4 meV/atom
Decomposition energy: 0.0 meV/atom

a: 3.58 Å
b: 3.58 Å

(c: 26.23 Å)

Spacegroup: P-3m1

Magnetic moment: 0.0 μB/unit cell

Bandgap: 3463.0 meV (indirect) (PBE)

VASP inputs

Bandstructure and Density of States

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