• Formula : Cs2NiBi2
  • Space Group : Cmcm (63)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 7.1533
    b = 15.1223
    c = 6.7947
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 10
    Total number of electrons per primitive cell = 116
  • Band gap = 0.3142 eV
    Direct Gap = 0.314 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 658704

Band structure with spin-orbit coupling