• Formula : SrF2
  • Space Group : Fm-3m (225)
    Centrosymmetric : True
    Dimensionality : 1D
  • Structure parameters
    a = 5.713
    b = 5.713
    c = 5.713
    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 = 7.1886 eV
    Direct Gap = 7.257 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Strontiofluorite, SrF2, a new mineral species from the Khibiny Massif, Kola Peninsula, Russia,
    The Canadian Mineralogist 48, 1487 (2010)

Band structure with spin-orbit coupling