• Formula : BaAgBi
  • Space Group : P6_3/mmc (194)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 4.953
    b = 4.953
    c = 9.146
    α = 90.0
    β = 90.0
    γ = 120.0
  • Number of atoms per primitive cell = 6
    Total number of electrons per primitive cell = 72
  • Band gap = 0.0 eV
    Direct Gap = 0.157 eV
    Metallicity = 0.393
    Topological Z2 indices ν = (1;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    RMX compounds formed by alkaline earths, europium and ytterbium. I. Ternary phases with M=Cu,Ag,Au; X=Sb,Bi,
    Journal of the Less-Common Metals 166, 319 (1990)

Band structure with spin-orbit coupling