• Formula : BeO
  • Space Group : F-43m (216)
    Centrosymmetric : False
    Dimensionality : 1D
  • Structure parameters
    a = 3.8
    b = 3.8
    c = 3.8
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 2
    Total number of electrons per primitive cell = 10
  • Band gap = 6.9092 eV
    Direct Gap = 7.605 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 163467

Band structure with spin-orbit coupling