• Formula : CF2
  • Space Group : P-1 (2)
    Centrosymmetric : True
    Dimensionality : 1D
  • Structure parameters
    a = 6.072
    b = 6.233
    c = 6.569
    α = 92.33
    β = 108.75
    γ = 94.31
  • Number of atoms per primitive cell = 18
    Total number of electrons per primitive cell = 108
  • Band gap = 5.2396 eV
    Direct Gap = 5.308 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 151184

Band structure with spin-orbit coupling