• Formula : SrI2
  • Space Group : Pbca (61)
    Centrosymmetric : True
    Dimensionality : 1D
  • Structure parameters
    a = 15.22
    b = 8.22
    c = 7.9
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 24
    Total number of electrons per primitive cell = 192
  • Band gap = 3.674 eV
    Direct Gap = 3.674 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Neue AB2-strukturtypen mit siebenfach koordiniertem kation,
    Zeitschrift fur Kristallographie 128, 430 (1969)

Band structure with spin-orbit coupling