Cu1Zr2

MatHub3d-38035-Cu1Zr2

Basic properties

Property Value
Space group (139, "'I4/mmm'")
Magnetic False
Band gap (PBE) (eV) 0
Total energy (eV) -19.732
Total energy / atom (eV) -6.577

Lattice Parameters(from the source)

a, b, c (Å): 3.220 3.220 11.180
α, β, γ(°): 90.0 90.0 90.0

Lattice Parameters(computed)

a, b, c (Å): 6.070 6.070 6.070
α, β, γ(°): 149.0 149.0 44.0

Energy and volume

Cu1Zr2
.
Property Value
Bulk-modulus 106.206 GPa

Density of States (DOS)







Electronic band structure (PBE)

Cu1Zr2
  
Property Value
Band gap 0 eV
Band degeneracy(CBM) 0.00

Data source

Property Value
Source icsd-103164-Cu1Zr2