Collection: 2dmaterials, Doc: 2dm-3641

Formula: CaAsH5O6

Discovery Process: Exfoliation from layered material
Obtained from 3D: mp-24120

Exfoliation energy: 70.0 meV/atom
Decomposition energy: 65.6 meV/atom

a: 5.90 Å
b: 6.19 Å

(c: 28.03 Å)

Spacegroup: Pc

Magnetic moment: -0.0 μB/unit cell

Bandgap: 3936.0 meV (direct) (PBE)

VASP inputs

Bandstructure and Density of States

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