• Formula : SrCl2
  • Space Group : Fm-3m (225)
    Centrosymmetric : True
    Dimensionality : 1D
  • Structure parameters
    a = 7.0
    b = 7.0
    c = 7.0
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 3
    Total number of electrons per primitive cell = 24
  • Band gap = 5.2948 eV
    Direct Gap = 5.509 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Ueber das Beugungsvermoegen der Atome fuer Roentgenstrahlen.,
    Zeitschrift fuer Physik 33, 681 (1925)

Band structure with spin-orbit coupling