• Formula : Te2Mo
  • Space Group : P2_1/m (11)
    Centrosymmetric : True
    Dimensionality : 2D
  • Structure parameters
    a = 6.33
    b = 3.469
    c = 13.86
    α = 90.0
    β = 93.917
    γ = 90.0
  • Number of atoms per primitive cell = 12
    Total number of electrons per primitive cell = 104
  • Band gap = 0.0 eV
    Direct Gap = 0.034 eV
    Metallicity = 0.170
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    The crystal structures of W Te2 and high-temperature Mo Te2,
    Acta Crystallographica (1,1948-23,1967) 20, 268 (1966)

Band structure with spin-orbit coupling