Collection: 2dmaterials, Doc: 2dm-3839

Formula: Zr(MoO4)2

Discovery Process: Exfoliation from layered material
Obtained from 3D: mp-627151

Exfoliation energy: 84.4 meV/atom
Decomposition energy: 113.9 meV/atom

a: 6.17 Å
b: 6.17 Å

(c: 22.31 Å)

Spacegroup: P-3m1

Magnetic moment: 0.0 μB/unit cell

Bandgap: 3228.5 meV (indirect) (PBE)

VASP inputs

Bandstructure and Density of States

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