• Formula : CoSnC4Cl3O4
  • Space Group : R3 (146)
    Centrosymmetric : False
    Dimensionality : 1D
  • Structure parameters
    a = 10.1606
    b = 10.1606
    c = 9.294
    α = 90.0
    β = 90.0
    γ = 120.0
  • Number of atoms per primitive cell = 13
    Total number of electrons per primitive cell = 92
  • Band gap = 2.9036 eV
    Direct Gap = 2.918 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 69685

Band structure with spin-orbit coupling