• Formula : SrZn2
  • Space Group : Imma (74)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 4.779
    b = 7.795
    c = 7.82
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 6
    Total number of electrons per primitive cell = 68
  • Band gap = 0.0 eV
    Direct Gap = 0.011 eV
    Metallicity = 0.504
    Topological Z2 indices ν = (0;111)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    The structure of Sr Zn2,
    Acta Crystallographica (1,1948-23,1967) 17, 65 (1964)

Band structure with spin-orbit coupling