• Formula : SrSi2
  • Space Group : I4_1/amd (141)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 4.438
    b = 4.438
    c = 13.83
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 6
    Total number of electrons per primitive cell = 36
  • Band gap = 0.0 eV
    Direct Gap = 0.014 eV
    Metallicity = 0.249
    Topological Z2 indices ν = (1;111)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Effect of pressure on the structures of divalent metal disilicides M Si2 (M= Ca, Eu, Sr),
    Journal of Solid State Chemistry 20, 173 (1977)

Band structure with spin-orbit coupling