• Formula : SrBiO3
  • Space Group : P2_1/c (14)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 5.948
    b = 6.0951
    c = 8.4854
    α = 90.0
    β = 90.063
    γ = 90.0
  • Number of atoms per primitive cell = 20
    Total number of electrons per primitive cell = 172
  • Band gap = 0.4344 eV
    Direct Gap = 1.142 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Discovery of a second family of bismuth-oxide-based superconductors,
    Nature (London) 390, 148 (1997)

Band structure with spin-orbit coupling