• Formula : K3ReC4(N2O)2
  • Space Group : P-1 (2)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 7.73
    b = 7.35
    c = 6.32
    α = 107.47
    β = 108.33
    γ = 114.33
  • Number of atoms per primitive cell = 14
    Total number of electrons per primitive cell = 90
  • Band gap = 0.0 eV
    Direct Gap = 0.098 eV
    Metallicity = 0.453
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 30430

Band structure with spin-orbit coupling