Au2F8K2

MatHub3d-7655-Au2F8K2

Basic properties

Property Value
Space group (140, "'I4/mcm'")
Magnetic False
Band gap (PBE) (eV) 2.96
Total energy (eV) -40.847
Total energy / atom (eV) -3.404

Lattice Parameters(from the source)

a, b, c (Å): 5.990 5.990 11.380
α, β, γ(°): 90.0 90.0 90.0

Lattice Parameters(computed)

a, b, c (Å): 7.220 7.220 7.220
α, β, γ(°): 130.0 130.0 74.0

Deformation Potential

n_type (eV): -4.448
p_type (eV): 0.064

Energy and volume

Au2F8K2
.
Property Value
Bulk-modulus 62.266 GPa

Density of States (DOS)







Electronic band structure (PBE)

Au2F8K2
  
Property Value
Band gap 2.96 eV
Band degeneracy(CBM) 2.00
Band degeneracy(VBM) 1.00

Data source

Property Value
Source icsd-10327-Au2F8K2