Collection: 2dmaterials, Doc: 2dm-4030

Formula: CaP(H2O3)2

Discovery Process: Exfoliation from layered material
Obtained from 3D: mp-632758

Exfoliation energy: 60.1 meV/atom
Decomposition energy: 106.0 meV/atom

a: 5.77 Å
b: 6.44 Å

(c: 27.40 Å)

Spacegroup: P-1

Magnetic moment: 2.0170445 μB/unit cell

Bandgap: 138.7 meV (indirect) (PBE)

VASP inputs

Bandstructure and Density of States

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