• Formula : Te2Ru
  • Space Group : Pa3 (205)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 6.391
    b = 6.391
    c = 6.391
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 12
    Total number of electrons per primitive cell = 112
  • Band gap = 0.0 eV
    Direct Gap = 0.378 eV
    Metallicity = 0.015
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Kristallstrukturen des lollingits FeAs2 und des pyrits RuTe2,
    Zeitschrift fur Anorganische und Allgemeine Chemie 554, 87 (1987)

Band structure with spin-orbit coupling