• Formula : Ca8Al3
  • Space Group : P-1 (2)
    Centrosymmetric : True
    Dimensionality : 1D
  • Structure parameters
    a = 9.484
    b = 9.592
    c = 9.671
    α = 99.02
    β = 101.13
    γ = 119.55
  • Number of atoms per primitive cell = 22
    Total number of electrons per primitive cell = 178
  • Band gap = 0.0 eV
    Direct Gap = 0.006 eV
    Metallicity = 0.479
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 165240

Band structure with spin-orbit coupling