• Formula : NaCrF4
  • Space Group : P2_1/c (14)
    Centrosymmetric : True
    Dimensionality : 2D
  • Structure parameters
    a = 7.862
    b = 5.328
    c = 7.406
    α = 90.0
    β = 101.65
    γ = 90.0
  • Number of atoms per primitive cell = 24
    Total number of electrons per primitive cell = 204
  • Band gap = 0.0 eV
    Direct Gap = 0.004 eV
    Metallicity = 0.262
    Topological Z2 indices ν = (1;111)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 37108

Band structure with spin-orbit coupling