• Formula : Ag2Te
  • Space Group : P2_1/c (14)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 8.09
    b = 4.48
    c = 8.96
    α = 90.0
    β = 123.33
    γ = 90.0
  • Number of atoms per primitive cell = 12
    Total number of electrons per primitive cell = 112
  • Band gap = 0.0803 eV
    Direct Gap = 0.080 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (1;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    The structure of Hessite, Ag2 Te-III,
    Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977) 112, 44 (1959)

Band structure with spin-orbit coupling