Collection: 2dmaterials, Doc: 2dm-3592

Formula: CaHI

Discovery Process: Exfoliation from layered material
Obtained from 3D: mp-24204

Exfoliation energy: 48.0 meV/atom
Decomposition energy: 0.0 meV/atom

a: 3.99 Å
b: 3.99 Å

(c: 25.67 Å)

Spacegroup: P4/nmm

Magnetic moment: -0.0 μB/unit cell

Bandgap: 3809.5 meV (indirect) (PBE)

VASP inputs

Bandstructure and Density of States

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