• Formula : Al4C3
  • Space Group : R3m (160)
    Centrosymmetric : False
    Dimensionality : 3D
  • Structure parameters
    a = 8.52
    b = 8.52
    c = 8.52
    α = 22.54
    β = 22.54
    γ = 22.54
  • Number of atoms per primitive cell = 7
    Total number of electrons per primitive cell = 24
  • Band gap = 0.8906 eV
    Direct Gap = 1.617 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 14397

Band structure with spin-orbit coupling