Collection: 2dmaterials, Doc: 2dm-3511

Formula: Zr(IO3)4

Discovery Process: Exfoliation from layered material
Obtained from 3D: mp-27437

Exfoliation energy: 105.3 meV/atom
Decomposition energy: 15.0 meV/atom

a: 8.41 Å
b: 8.41 Å

(c: 26.72 Å)

Spacegroup: P4/n

Magnetic moment: -0.0 μB/unit cell

Bandgap: 3301.5 meV (direct) (PBE)

VASP inputs

Bandstructure and Density of States

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