• Formula : Li4GeO4
  • Space Group : Cmcm (63)
    Centrosymmetric : True
    Dimensionality : 1D
  • Structure parameters
    a = 7.76
    b = 6.05
    c = 7.36
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 18
    Total number of electrons per primitive cell = 80
  • Band gap = 4.4557 eV
    Direct Gap = 4.456 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Die kristallstruktur von Li4GeO4,
    Zeitschrift fur Kristallographie 128, 66 (1969)

Band structure with spin-orbit coupling