• Formula : Te2Ru
  • Space Group : Pnnm (58)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 5.2915
    b = 6.4043
    c = 4.0118
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 6
    Total number of electrons per primitive cell = 56
  • Band gap = 0.2 eV
    Direct Gap = 1.021 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Untersuchungen im System Ruthenium-Selen-Tellur,
    Journal of the Less-Common Metals 113, 75 (1985)

Band structure with spin-orbit coupling