Collection: 2dmaterials, Doc: 2dm-3734

Formula: MgCl2

Discovery Process: Exfoliation from layered material
Obtained from 3D: mp-23210

Exfoliation energy: 63.5 meV/atom
Decomposition energy: 2.3 meV/atom

a: 3.64 Å
b: 3.64 Å

(c: 22.75 Å)

Spacegroup: P-3m1

Magnetic moment: 0.0 μB/unit cell

Bandgap: 6068.8 meV (direct) (PBE)

VASP inputs

Bandstructure and Density of States

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