Cl16N12Sb4

MatHub3d-30490-Cl16N12Sb4

Basic properties

Property Value
Space group (14, "'P2_1/c'")
Magnetic True
Magnetic moment (μB) 0.02
Band gap (PBE) (eV) 1.89
Total energy (eV) -150.403
Total energy / atom (eV) -4.700

Lattice Parameters(from the source)

a, b, c (Å): 8.050 9.350 12.520
α, β, γ(°): 90.0 126.0 90.0

Lattice Parameters(computed)

a, b, c (Å): 8.630 9.910 13.340
α, β, γ(°): 90.0 127.0 90.0

Deformation Potential

n_type (eV): -14.083
p_type (eV): -7.551

Energy and volume

Cl16N12Sb4
.
Property Value
Bulk-modulus 52.365 GPa

Density of States (DOS)







Electronic band structure (PBE)

Cl16N12Sb4
  
Property Value
Band gap 1.89 eV
Band degeneracy(CBM) 1.00
Band degeneracy(VBM) 4.00

Electric transport properties

n-type Seebeck coefficient (700K)



p-type Seebeck coefficient (700K)
n-type conductivity (700K)



p-type conductivity (700K)
n-type power factor (700K)



p-type power factor (700K)

Data source

Property Value
Source icsd-10353-Cl16N12Sb4