• Formula : Cs4Fe2O5
  • Space Group : C2/c (15)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 7.358
    b = 18.005
    c = 7.634
    α = 90.0
    β = 107.366
    γ = 90.0
  • Number of atoms per primitive cell = 22
    Total number of electrons per primitive cell = 164
  • Band gap = 0.0 eV
    Direct Gap = 0.003 eV
    Metallicity = 0.205
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 174317

Band structure with spin-orbit coupling