• Formula : SrGe3
  • Space Group : I4/mmm (139)
    Centrosymmetric : True
    Dimensionality : 1D
  • Structure parameters
    a = 7.78
    b = 7.78
    c = 12.0561
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 16
    Total number of electrons per primitive cell = 88
  • Band gap = 0.0 eV
    Direct Gap = 0.005 eV
    Metallicity = 0.619
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    High-Pressure Synthesis and Electronic Structure of a New Superconducting Strontium Germanide (SrGe3) Containing Ge2 Dumbbells.,
    Inorganic chemistry 54, 7433 (2015)

Band structure with spin-orbit coupling