• Formula : LiGaPdF6
  • Space Group : P-31c (163)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 5.0572
    b = 5.0572
    c = 9.237
    α = 90.0
    β = 90.0
    γ = 120.0
  • Number of atoms per primitive cell = 18
    Total number of electrons per primitive cell = 152
  • Band gap = 0.0 eV
    Direct Gap = 0.005 eV
    Metallicity = 0.096
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 78748

Band structure with spin-orbit coupling