• Formula : Ca3SiO
  • Space Group : Imma (74)
    Centrosymmetric : True
    Dimensionality : 1D
  • Structure parameters
    a = 6.676
    b = 6.6662
    c = 9.4263
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 10
    Total number of electrons per primitive cell = 80
  • Band gap = 0.0436 eV
    Direct Gap = 0.044 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 413382

Band structure with spin-orbit coupling