• Formula : Sr2LiFe2N3
  • Space Group : C2/c (15)
    Centrosymmetric : True
    Dimensionality : 1D
  • Structure parameters
    a = 6.559
    b = 11.414
    c = 6.593
    α = 90.0
    β = 93.28
    γ = 90.0
  • Number of atoms per primitive cell = 16
    Total number of electrons per primitive cell = 108
  • Band gap = 0.0 eV
    Direct Gap = 0.008 eV
    Metallicity = 0.228
    Topological Z2 indices ν = (1;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 71059

Band structure with spin-orbit coupling