• Formula : Sr(BrO3)2
  • Space Group : Cc (9)
    Centrosymmetric : False
    Dimensionality : 1D
  • Structure parameters
    a = 7.5768
    b = 11.723
    c = 7.4231
    α = 90.0
    β = 120.263
    γ = 90.0
  • Number of atoms per primitive cell = 18
    Total number of electrons per primitive cell = 120
  • Band gap = 4.2156 eV
    Direct Gap = 4.324 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 61158

Band structure with spin-orbit coupling