• Formula : Sr6Li2Cr2N8O
  • Space Group : P-1 (2)
    Centrosymmetric : True
    Dimensionality : 1D
  • Structure parameters
    a = 6.1587
    b = 6.825
    c = 7.543
    α = 82.302
    β = 75.197
    γ = 70.133
  • Number of atoms per primitive cell = 19
    Total number of electrons per primitive cell = 140
  • Band gap = 1.7419 eV
    Direct Gap = 1.768 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 411983

Band structure with spin-orbit coupling