• Formula : Ba2Ge4Pd5
  • Space Group : Cmce (64)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 10.9296
    b = 14.1639
    c = 5.8808
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 22
    Total number of electrons per primitive cell = 252
  • Band gap = 0.0 eV
    Direct Gap = 0.020 eV
    Metallicity = 0.650
    Topological Z2 indices ν = (0;110)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Crystal and electronic structures of metallic Ba2Pd5Ge4.,
    Dalton transactions (Cambridge, England : 2003) 41, 12920 (2012)

Band structure with spin-orbit coupling