• Formula : K4Be3O5
  • Space Group : C2/c (15)
    Centrosymmetric : True
    Dimensionality : 1D
  • Structure parameters
    a = 10.381
    b = 7.228
    c = 10.788
    α = 90.0
    β = 118.36
    γ = 90.0
  • Number of atoms per primitive cell = 24
    Total number of electrons per primitive cell = 156
  • Band gap = 3.3568 eV
    Direct Gap = 3.409 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 33808

Band structure with spin-orbit coupling