Collection: twodmaterials, Doc: 2dm-4608

Formula: ZrNCl

Discovery Process: Exfoliation from layered material
Obtained from 3D: mp-568592

Exfoliation energy: 34.1 meV/atom
Decomposition energy: 0.0 meV/atom

a: 3.64 Å
b: 3.64 Å

(c: 26.31 Å)

Spacegroup: P-3m1

Magnetic moment: -0.0 μB/unit cell

Bandgap: 2728.6 meV (direct) (PBE)

VASP inputs

Bandstructure and Density of States

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