• Formula : ZnNi
  • Space Group : Pm-3m (221)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 2.9083
    b = 2.9083
    c = 2.9083
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 2
    Total number of electrons per primitive cell = 22
  • Band gap = 0.0 eV
    Direct Gap = 0.004 eV
    Metallicity = 0.551
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Zu dem System Nickel-Zink,
    Metallwirtschaft, Metallwissenschaft, Metalltechnik 15, 655 (1936)

Band structure with spin-orbit coupling