• Formula : LiFeSiO4
  • Space Group : Pc (7)
    Centrosymmetric : False
    Dimensionality : 2D
  • Structure parameters
    a = 6.0813
    b = 5.6351
    c = 5.0421
    α = 90.0
    β = 89.243
    γ = 90.0
  • Number of atoms per primitive cell = 14
    Total number of electrons per primitive cell = 78
  • Band gap = 0.0 eV
    Direct Gap = 0.000 eV
    Metallicity = 0.905
    Topological Z2 indices ν = ?
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 186517

Band structure with spin-orbit coupling