• Formula : RuC3Br2O3
  • Space Group : C2/m (12)
    Centrosymmetric : True
    Dimensionality : 1D
  • Structure parameters
    a = 10.74
    b = 7.44
    c = 9.42
    α = 90.0
    β = 106.32
    γ = 90.0
  • Number of atoms per primitive cell = 18
    Total number of electrons per primitive cell = 120
  • Band gap = 2.0975 eV
    Direct Gap = 2.155 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 48158

Band structure with spin-orbit coupling