• Formula : K4Bi2O5
  • Space Group : P-1 (2)
    Centrosymmetric : True
    Dimensionality : 1D
  • Structure parameters
    a = 5.693
    b = 9.528
    c = 9.786
    α = 106.47
    β = 105.06
    γ = 106.42
  • Number of atoms per primitive cell = 22
    Total number of electrons per primitive cell = 192
  • Band gap = 2.6958 eV
    Direct Gap = 2.768 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 408000

Band structure with spin-orbit coupling