• Formula : FeSO4F
  • Space Group : C2/c (15)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 7.365
    b = 7.09
    c = 7.368
    α = 90.0
    β = 119.768
    γ = 90.0
  • Number of atoms per primitive cell = 14
    Total number of electrons per primitive cell = 90
  • Band gap = 0.0 eV
    Direct Gap = 0.001 eV
    Metallicity = 0.521
    Topological Z2 indices ν = (1;100)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 182945

Band structure with spin-orbit coupling