Collection: 2dmaterials, Doc: 2dm-3701

Formula: LiCu(PO3)2

Discovery Process: Exfoliation from layered material
Obtained from 3D: mp-25975

Exfoliation energy: 102.0 meV/atom
Decomposition energy: 92.4 meV/atom

a: 4.63 Å
b: 10.06 Å

(c: 25.91 Å)

Spacegroup: P2/c

Magnetic moment: 0.0 μB/unit cell

Bandgap: 2423.1 meV (direct) (PBE)

VASP inputs

Bandstructure and Density of States

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