• Formula : Li5BiO5
  • Space Group : Cm (8)
    Centrosymmetric : False
    Dimensionality : 2D
  • Structure parameters
    a = 9.964
    b = 4.148
    c = 5.9409
    α = 90.0
    β = 109.49
    γ = 90.0
  • Number of atoms per primitive cell = 11
    Total number of electrons per primitive cell = 50
  • Band gap = 1.5359 eV
    Direct Gap = 1.767 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 203031

Band structure with spin-orbit coupling