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)
Bandstructure and Density of States
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