• Formula : Sr2CaReO6
  • Space Group : P2_1/c (14)
    Centrosymmetric : True
    Dimensionality : 1D
  • Structure parameters
    a = 5.7485
    b = 5.8246
    c = 8.158
    α = 90.0
    β = 90.233
    γ = 90.0
  • Number of atoms per primitive cell = 20
    Total number of electrons per primitive cell = 162
  • Band gap = 0.0 eV
    Direct Gap = 0.000 eV
    Metallicity = 0.974
    Topological Z2 indices ν = (0;010)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 182568

Band structure with spin-orbit coupling