Collection: 2dmaterials, Doc: 2dm-3677

Formula: CaPH3O4

Discovery Process: Exfoliation from layered material
Obtained from 3D: mp-24170

Exfoliation energy: 58.7 meV/atom
Decomposition energy: 33.0 meV/atom

a: 6.69 Å
b: 7.90 Å

(c: 27.02 Å)

Spacegroup: P2_1/c

Magnetic moment: 0.0 μB/unit cell

Bandgap: 4611.9 meV (direct) (PBE)

VASP inputs

Bandstructure and Density of States

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