• Formula : ZnCu2Ni
  • Space Group : P4/mmm (123)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 3.635
    b = 3.635
    c = 3.635
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 4
    Total number of electrons per primitive cell = 44
  • Band gap = 0.0 eV
    Direct Gap = 0.019 eV
    Metallicity = 0.327
    Topological Z2 indices ν = (1;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    The lattice parameter of Cu2 Ni Zn,
    Acta Crystallographica A (24,1968-38,1982) 37, 101 (1981)

Band structure with spin-orbit coupling