• Formula : Ca3SiBr2
  • Space Group : Cm (8)
    Centrosymmetric : False
    Dimensionality : 1D
  • Structure parameters
    a = 7.921
    b = 4.566
    c = 12.259
    α = 90.0
    β = 106.98
    γ = 90.0
  • Number of atoms per primitive cell = 6
    Total number of electrons per primitive cell = 48
  • Band gap = 0.0 eV
    Direct Gap = 0.003 eV
    Metallicity = 0.511
    Topological Z2 indices ν = ?
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 89544

Band structure with spin-orbit coupling