• Formula : LiCdBO3
  • Space Group : P-1 (2)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 6.118
    b = 8.486
    c = 5.257
    α = 91.46
    β = 89.64
    γ = 104.85
  • Number of atoms per primitive cell = 12
    Total number of electrons per primitive cell = 72
  • Band gap = 2.6621 eV
    Direct Gap = 2.727 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 200615

Band structure with spin-orbit coupling