Collection: 2dmaterials, Doc: 2dm-3472

Formula: Ca(AuF6)2

Discovery Process: Exfoliation from layered material
Obtained from 3D: mp-28153

Exfoliation energy: 23.3 meV/atom
Decomposition energy: 0.0 meV/atom

a: 5.68 Å
b: 5.68 Å

(c: 27.59 Å)

Spacegroup: P-4m2

Magnetic moment: 0.0 μB/unit cell

Bandgap: 1653.9 meV (direct) (PBE)

VASP inputs

Bandstructure and Density of States

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