• Formula : Bi4O7
  • Space Group : P-1 (2)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 6.7253
    b = 6.995
    c = 7.7961
    α = 72.566
    β = 88.842
    γ = 76.925
  • Number of atoms per primitive cell = 22
    Total number of electrons per primitive cell = 124
  • Band gap = 1.173 eV
    Direct Gap = 1.280 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 51778

Band structure with spin-orbit coupling