• Formula : Li4WO5
  • Space Group : P-1 (2)
    Centrosymmetric : True
    Dimensionality : 1D
  • Structure parameters
    a = 5.109
    b = 7.716
    c = 5.061
    α = 101.8
    β = 101.78
    γ = 108.77
  • Number of atoms per primitive cell = 20
    Total number of electrons per primitive cell = 112
  • Band gap = 10.2285 eV
    Direct Gap = 3.381 eV
    Metallicity = 1.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 108819

Band structure with spin-orbit coupling