• Formula : F2
  • Space Group : C2/m (12)
    Centrosymmetric : True
    Dimensionality : 1D
  • Structure parameters
    a = 5.5
    b = 3.28
    c = 10.01
    α = 90.0
    β = 134.66
    γ = 90.0
  • Number of atoms per primitive cell = 2
    Total number of electrons per primitive cell = 14
  • Band gap = 2.5205 eV
    Direct Gap = 2.521 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Crystal structure of alpha-fluorine Locality: synthetic Sample: at T = 23 K Note: alpha phase, stable between T = 0 K & 45.6 K,
    Journal of Chemical Physics 49, 1902 (1968)

Band structure with spin-orbit coupling