• Formula : Bi(BO2)3
  • Space Group : P1 (1)
    Centrosymmetric : False
    Dimensionality : 3D
  • Structure parameters
    a = 7.4781
    b = 3.934
    c = 6.2321
    α = 93.728
    β = 102.933
    γ = 90.756
  • Number of atoms per primitive cell = 10
    Total number of electrons per primitive cell = 50
  • Band gap = 2.2969 eV
    Direct Gap = 2.382 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 173746

Band structure with spin-orbit coupling