Collection: 2dmaterials, Doc: 2dm-3147

Formula: ZrCl3

Discovery Process: Exfoliation from layered material
Obtained from 3D: mp-1100795

Exfoliation energy: 73.1 meV/atom
Decomposition energy: 51.6 meV/atom

a: 6.08 Å
b: 6.23 Å

(c: 23.18 Å)

Spacegroup: C2/m

Magnetic moment: 2.0028059 μB/unit cell

Bandgap: 173.1 meV (indirect) (PBE)

VASP inputs

Bandstructure and Density of States

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