• Formula : Te2OsCl12
  • Space Group : P-1 (2)
    Centrosymmetric : True
    Dimensionality : 1D
  • Structure parameters
    a = 6.525
    b = 6.951
    c = 10.59
    α = 70.69
    β = 104.4
    γ = 114.75
  • Number of atoms per primitive cell = 15
    Total number of electrons per primitive cell = 112
  • Band gap = 0.0 eV
    Direct Gap = 0.018 eV
    Metallicity = 0.121
    Topological Z2 indices ν = (1;001)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 74682

Band structure with spin-orbit coupling