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Formula : Ca
2
MnSbO
6
Space Group :
P2_1/m (11)
Centrosymmetric : True
Dimensionality : 3D
Structure parameters
a = 5.4607
b = 7.6934
c = 5.5548
α = 90.0
β = 90.134
γ = 90.0
Number of atoms per primitive cell = 20
Total number of electrons per primitive cell = 152
Band gap = 0.0 eV
Direct Gap = 0.003 eV
Metallicity = 1.000
Topological Z2 indices ν = (0;000)
scf.in
-
scf.out
-
bands.in
-
bands.out
Reference:
ICSD Collection Code: 246090
Band structure with spin-orbit coupling