Collection: 2dmaterials, Doc: 2dm-3152

Formula: ZrSiO4

Discovery Process: Exfoliation from layered material
Obtained from 3D: mp-1020588

Exfoliation energy: 107.3 meV/atom
Decomposition energy: 207.2 meV/atom

a: 4.47 Å
b: 4.87 Å

(c: 24.37 Å)

Spacegroup: P2/c

Magnetic moment: -0.0 μB/unit cell

Bandgap: 3993.4 meV (indirect) (PBE)

VASP inputs

Bandstructure and Density of States

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