• Formula : Na3Bi
  • Space Group : Ccmm (63)
    Centrosymmetric : True
    Dimensionality : 1D
  • Structure parameters
    a = 5.459
    b = 5.459
    c = 9.675
    α = 90.0
    β = 90.0
    γ = 120.0
  • Number of atoms per primitive cell = 8
    Total number of electrons per primitive cell = 84
  • Band gap = 0.0 eV
    Direct Gap = 0.029 eV
    Metallicity = 0.008
    Topological Z2 indices ν = (1;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 26881

Band structure with spin-orbit coupling