• Formula : SrGeO3
  • Space Group : Pm-3m (221)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 3.7978
    b = 3.7978
    c = 3.7978
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 5
    Total number of electrons per primitive cell = 32
  • Band gap = 0.122 eV
    Direct Gap = 0.765 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Crystal structure of SrGeO~3~ in the high-pressure perovskite-type phase,
    Acta Crystallographica Section E 71, 502 (2015)

Band structure with spin-orbit coupling