• Formula : SrTiO3
  • Space Group : Ic2m (46)
    Centrosymmetric : False
    Dimensionality : 3D
  • Structure parameters
    a = 7.8341
    b = 5.5036
    c = 5.5043
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 10
    Total number of electrons per primitive cell = 80
  • Band gap = 2.0079 eV
    Direct Gap = 2.008 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 182248

Band structure with spin-orbit coupling