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)
Bandstructure and Density of States
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