• Formula : Bi(BO2)3
  • Space Group : C2 (5)
    Centrosymmetric : False
    Dimensionality : 3D
  • Structure parameters
    a = 7.1406
    b = 4.9671
    c = 6.5054
    α = 90.0
    β = 105.4509
    γ = 90.0
  • Number of atoms per primitive cell = 10
    Total number of electrons per primitive cell = 50
  • Band gap = 3.6421 eV
    Direct Gap = 4.024 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 245895

Band structure with spin-orbit coupling