• Formula : Y2MnCrO6
  • Space Group : P2_1/c (14)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 7.4743
    b = 5.6444
    c = 9.1329
    α = 90.0
    β = 144.87
    γ = 90.0
  • Number of atoms per primitive cell = 20
    Total number of electrons per primitive cell = 174
  • Band gap = 0.0 eV
    Direct Gap = 0.000 eV
    Metallicity = 0.840
    Topological Z2 indices ν = (1;101)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 188476

Band structure with spin-orbit coupling