• Formula : AgBiTe2
  • Space Group : P-3m1 (164)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 4.468
    b = 4.468
    c = 20.75
    α = 90.0
    β = 90.0
    γ = 120.0
  • Number of atoms per primitive cell = 12
    Total number of electrons per primitive cell = 114
  • Band gap = 0.0 eV
    Direct Gap = 0.022 eV
    Metallicity = 0.179
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Crystal chemistry and crystallography of some minerals in the tetradymite group,
    American Mineralogist 76, 257 (1991)

Band structure with spin-orbit coupling