• Formula : Ba4Na(BiO4)3
  • Space Group : Im-3m (229)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 8.578
    b = 8.578
    c = 8.578
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 20
    Total number of electrons per primitive cell = 166
  • Band gap = 0.0 eV
    Direct Gap = 0.000 eV
    Metallicity = 0.084
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 77640

Band structure with spin-orbit coupling