• Formula : V4Zn5
  • Space Group : I4/mmm (139)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 8.91
    b = 8.91
    c = 3.224
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 9
    Total number of electrons per primitive cell = 112
  • Band gap = 0.0 eV
    Direct Gap = 0.002 eV
    Metallicity = 0.859
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Einige Strukturdaten metallischer Phasen (IX),
    Naturwissenschaften 51, 287 (1964)

Band structure with spin-orbit coupling