• Formula : K2W2O7
  • Space Group : P2_1/c (14)
    Centrosymmetric : True
    Dimensionality : 2D
  • Structure parameters
    a = 3.883
    b = 13.653
    c = 5.96
    α = 90.0
    β = 90.4
    γ = 90.0
  • Number of atoms per primitive cell = 22
    Total number of electrons per primitive cell = 232
  • Band gap = 2.6632 eV
    Direct Gap = 3.296 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 67284

Band structure with spin-orbit coupling