• Formula : Ba2SrWO6
  • Space Group : R-3 (148)
    Centrosymmetric : True
    Dimensionality : 1D
  • Structure parameters
    a = 6.05996
    b = 6.05996
    c = 6.05996
    α = 60.3474
    β = 60.3474
    γ = 60.3474
  • Number of atoms per primitive cell = 10
    Total number of electrons per primitive cell = 80
  • Band gap = 3.0139 eV
    Direct Gap = 3.014 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 246115

Band structure with spin-orbit coupling