Collection: 2dmaterials, Doc: 2dm-3752

Formula: ZrP2(HO3)2

Discovery Process: Exfoliation from layered material
Obtained from 3D: mp-24030

Exfoliation energy: 48.2 meV/atom
Decomposition energy: 0.0 meV/atom

a: 5.51 Å
b: 5.51 Å

(c: 26.11 Å)

Spacegroup: P-3m1

Magnetic moment: -0.0 μB/unit cell

Bandgap: 4134.0 meV (direct) (PBE)

VASP inputs

Bandstructure and Density of States

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