• Formula : LiFe(GeO3)2
  • Space Group : C2/c (15)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 10.0963
    b = 8.7239
    c = 5.5341
    α = 90.0
    β = 109.839
    γ = 90.0
  • Number of atoms per primitive cell = 20
    Total number of electrons per primitive cell = 110
  • Band gap = 0.0 eV
    Direct Gap = 0.000 eV
    Metallicity = 0.374
    Topological Z2 indices ν = (0;011)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 169479

Band structure with spin-orbit coupling