N4S8Sb4

MatHub3d-65190-N4S8Sb4

Basic properties

Property Value
Space group (2, "'P-1'")
Magnetic True
Band gap (PBE) (eV) 0.65
Total energy (eV) -79.408
Total energy / atom (eV) -4.963

Lattice Parameters(from the source)

a, b, c (Å): 6.340 6.420 12.130
α, β, γ(°): 101.0 99.0 103.0

Lattice Parameters(computed)

a, b, c (Å): 8.030 5.780 11.450
α, β, γ(°): 61.0 102.0 118.0

Deformation Potential

n_type (eV): -8.935
p_type (eV): -9.103

Energy and volume

N4S8Sb4
.
Property Value
Bulk-modulus 60.668 GPa

Density of States (DOS)







Electronic band structure (PBE)

N4S8Sb4
  
Property Value
Band gap 0.65 eV
Band degeneracy(CBM) 0.00

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-10008-N4S8Sb4