• Formula : K3BiO4
  • Space Group : P-1 (2)
    Centrosymmetric : True
    Dimensionality : 1D
  • Structure parameters
    a = 6.4318
    b = 6.5727
    c = 7.6241
    α = 101.724
    β = 96.472
    γ = 105.465
  • Number of atoms per primitive cell = 16
    Total number of electrons per primitive cell = 132
  • Band gap = 1.5786 eV
    Direct Gap = 1.609 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 412393

Band structure with spin-orbit coupling