Collection: 2dmaterials, Doc: 2dm-3706
Formula: ZrCl2
Discovery Process: Exfoliation from layered material
Obtained from 3D: mp-23162
Exfoliation energy: 69.0 meV/atom
Decomposition energy: 0.0 meV/atom
a: 3.41 Å
b: 3.41 Å
(c: 23.54 Å)
Spacegroup: P-6m2
Magnetic moment: -0.0 μB/unit cell
Bandgap: 1607.3 meV (indirect) (PBE)
Bandstructure and Density of States
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