• Formula : SnF2
  • Space Group : P2_12_12_1 (19)
    Centrosymmetric : False
    Dimensionality : 3D
  • Structure parameters
    a = 4.9889
    b = 5.1392
    c = 8.4777
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 12
    Total number of electrons per primitive cell = 112
  • Band gap = 2.9033 eV
    Direct Gap = 3.278 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    About Sn F2 stannous fluoride. II. Crystal structure of beta- and gamma- Sn F2,
    Journal of Solid State Chemistry 33, 1 (1980)

Band structure with spin-orbit coupling