• Formula : SrZn5
  • Space Group : Pnma (62)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 13.15
    b = 5.32
    c = 6.72
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 24
    Total number of electrons per primitive cell = 280
  • Band gap = 0.0 eV
    Direct Gap = 0.001 eV
    Metallicity = 0.598
    Topological Z2 indices ν = (1;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    The crystal structures of Sr Zn5 and Ba Zn5,
    Acta Crystallographica (1,1948-23,1967) 9, 361 (1956)

Band structure with spin-orbit coupling