• Formula : K2BeO2
  • Space Group : P2_1/c (14)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 7.098
    b = 10.577
    c = 5.706
    α = 90.0
    β = 90.0
    γ = 131.3
  • Number of atoms per primitive cell = 20
    Total number of electrons per primitive cell = 136
  • Band gap = 3.1261 eV
    Direct Gap = 3.253 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 23633

Band structure with spin-orbit coupling