• Formula : TaBiO4
  • Space Group : P-1 (2)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 5.931
    b = 7.672
    c = 7.786
    α = 102.94
    β = 90.04
    γ = 93.53
  • Number of atoms per primitive cell = 24
    Total number of electrons per primitive cell = 208
  • Band gap = 2.3509 eV
    Direct Gap = 2.351 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 415849

Band structure with spin-orbit coupling