• Formula : RuCl(OF3)2
  • Space Group : P2/c (13)
    Centrosymmetric : True
    Dimensionality : 1D
  • Structure parameters
    a = 7.187
    b = 5.653
    c = 7.26
    α = 90.0
    β = 90.87
    γ = 90.0
  • Number of atoms per primitive cell = 20
    Total number of electrons per primitive cell = 154
  • Band gap = 0.0 eV
    Direct Gap = 0.000 eV
    Metallicity = 0.978
    Topological Z2 indices ν = (1;010)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 63686

Band structure with spin-orbit coupling