C6Co1Cs2Li1N6

MatHub3d-20860-C6Co1Cs2Li1N6

Property Value
Space group (225, "'Fm-3m'")
Magnetic False
Band gap (PBE) (eV) 5.15
Total energy (eV) -114.807
Total energy / atom (eV) -7.175

Lattice Parameters(from the source)

a, b, c (Å): 10.490 10.490 10.490
α, β, γ(°): 90.0 90.0 90.0

Lattice Parameters(computed)

a, b, c (Å): 7.490 7.490 7.490
α, β, γ(°): 60.0 60.0 60.0

Deformation Potential

n_type (eV): -0.121
p_type (eV): 5.084
C6Co1Cs2Li1N6
.
Property Value
Bulk-modulus 81.194 GPa






C6Co1Cs2Li1N6
  
Property Value
Band gap 5.15 eV
Band degeneracy(CBM) 6.00
Band degeneracy(VBM) 9.00
Property Value
Source icsd-10181-C6Co1Cs2Li1N6