• Formula : Na4Sr(SiO3)3
  • Space Group : C2 (5)
    Centrosymmetric : False
    Dimensionality : 1D
  • Structure parameters
    a = 10.706
    b = 10.866
    c = 6.509
    α = 90.0
    β = 144.14
    γ = 90.0
  • Number of atoms per primitive cell = 17
    Total number of electrons per primitive cell = 112
  • Band gap = 4.2957 eV
    Direct Gap = 4.296 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 33943

Band structure with spin-orbit coupling