• Formula : Tl3AgTe2
  • Space Group : P2_1/c (14)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 11.02
    b = 7.427
    c = 9.888
    α = 90.0
    β = 116.62
    γ = 90.0
  • Number of atoms per primitive cell = 24
    Total number of electrons per primitive cell = 248
  • Band gap = 0.0 eV
    Direct Gap = 0.007 eV
    Metallicity = 1.000
    Topological Z2 indices ν = (0;001)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Darstellung und Kristallstruktur von Tl3 Ag Te2,
    Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (33,1978-41,1986) 41, 941 (1986)

Band structure with spin-orbit coupling