Collection: 2dmaterials, Doc: 2dm-3944

Formula: BaCaI4

Discovery Process: Exfoliation from layered material
Obtained from 3D: mp-753575

Exfoliation energy: 84.0 meV/atom
Decomposition energy: 33.5 meV/atom

a: 4.73 Å
b: 8.37 Å

(c: 23.80 Å)

Spacegroup: P2/m

Magnetic moment: 0.0 μB/unit cell

Bandgap: 3733.6 meV (direct) (PBE)

VASP inputs

Bandstructure and Density of States

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