• Formula : Ca3SiBr2
  • Space Group : R3m (160)
    Centrosymmetric : False
    Dimensionality : 1D
  • Structure parameters
    a = 11.917
    b = 11.917
    c = 11.917
    α = 21.77
    β = 21.77
    γ = 21.77
  • Number of atoms per primitive cell = 6
    Total number of electrons per primitive cell = 48
  • Band gap = 0.0 eV
    Direct Gap = 0.004 eV
    Metallicity = 0.425
    Topological Z2 indices ν = ?
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 89542

Band structure with spin-orbit coupling