• Formula : KSnSO4F
  • Space Group : P-1 (2)
    Centrosymmetric : True
    Dimensionality : 1D
  • Structure parameters
    a = 6.098
    b = 7.115
    c = 7.242
    α = 107.77
    β = 101.93
    γ = 109.91
  • Number of atoms per primitive cell = 16
    Total number of electrons per primitive cell = 120
  • Band gap = 3.9195 eV
    Direct Gap = 4.046 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 94532

Band structure with spin-orbit coupling