Collection: 2dmaterials, Doc: 2dm-4060

Formula: CaP2H6O7

Discovery Process: Exfoliation from layered material
Obtained from 3D: mp-24452

Exfoliation energy: 89.6 meV/atom
Decomposition energy: 62.0 meV/atom

a: 6.75 Å
b: 7.01 Å

(c: 29.51 Å)

Spacegroup: P-1

Magnetic moment: -0.0 μB/unit cell

Bandgap: 4949.9 meV (indirect) (PBE)

VASP inputs

Bandstructure and Density of States

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