Cu5Zr1

MatHub3d-39729-Cu5Zr1

Basic properties

Property Value
Space group (216, "'F-43m'")
Magnetic False
Band gap (PBE) (eV) 0
Total energy (eV) -20.766
Total energy / atom (eV) -3.461

Lattice Parameters(from the source)

a, b, c (Å): 6.870 6.870 6.870
α, β, γ(°): 90.0 90.0 90.0

Lattice Parameters(computed)

a, b, c (Å): 4.870 4.870 4.870
α, β, γ(°): 60.0 60.0 60.0

Energy and volume

Cu5Zr1
.
Property Value
Bulk-modulus 124.156 GPa

Density of States (DOS)







Electronic band structure (PBE)

Cu5Zr1
  
Property Value
Band gap 0 eV
Band degeneracy(CBM) 0.00

Data source

Property Value
Source icsd-103165-Cu5Zr1