Collection: 2dmaterials, Doc: 2dm-4043

Formula: ZrPbF6

Discovery Process: Exfoliation from layered material
Obtained from 3D: mp-7310

Exfoliation energy: 171.0 meV/atom
Decomposition energy: 65.9 meV/atom

a: 6.80 Å
b: 6.80 Å

(c: 25.76 Å)

Spacegroup: Cmme

Magnetic moment: -0.0 μB/unit cell

Bandgap: 5322.2 meV (direct) (PBE)

VASP inputs

Bandstructure and Density of States

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