Collection: 2dmaterials, Doc: 2dm-3570

Formula: CaH4SO6

Discovery Process: Exfoliation from layered material
Obtained from 3D: mp-23690

Exfoliation energy: 62.0 meV/atom
Decomposition energy: 55.5 meV/atom

a: 5.62 Å
b: 6.30 Å

(c: 27.34 Å)

Spacegroup: P2/c

Magnetic moment: 0.0 μB/unit cell

Bandgap: 4266.4 meV (direct) (PBE)

VASP inputs

Bandstructure and Density of States

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