• Formula : AgTe2Au
  • Space Group : P2/m (10)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 5.124
    b = 4.419
    c = 7.437
    α = 90.0
    β = 89.96
    γ = 90.0
  • Number of atoms per primitive cell = 8
    Total number of electrons per primitive cell = 68
  • Band gap = 0.0 eV
    Direct Gap = 0.051 eV
    Metallicity = 0.875
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Ordered distribution of Au and Ag in the crystal structure of muthmannite, AuAgTe2, a rare telluride from Sacarimb, Western Romania,
    American Mineralogist 89, 1505 (2004)

Band structure with spin-orbit coupling