Collection: 2dmaterials, Doc: 2dm-3595

Formula: Ca(HO)2

Discovery Process: Exfoliation from layered material
Obtained from 3D: mp-23879

Exfoliation energy: 64.5 meV/atom
Decomposition energy: 14.4 meV/atom

a: 3.60 Å
b: 3.60 Å

(c: 24.25 Å)

Spacegroup: P-3m1

Magnetic moment: -0.0 μB/unit cell

Bandgap: 3670.8 meV (direct) (PBE)

VASP inputs

Bandstructure and Density of States

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