S8Zn8

MatHub3d-73001-S8Zn8

Basic properties

Property Value
Space group (156, "'P3m1'")
Magnetic False
Band gap (PBE) (eV) 2.69
Total energy (eV) -51.486
Total energy / atom (eV) -3.218

Lattice Parameters(from the source)

a, b, c (Å): 3.820 3.820 25.040
α, β, γ(°): 90.0 90.0 120.0

Lattice Parameters(computed)

a, b, c (Å): 3.800 3.800 24.850
α, β, γ(°): 90.0 90.0 120.0

Deformation Potential

n_type (eV): -10.494
p_type (eV): -5.215

Energy and volume

S8Zn8
.
Property Value
Bulk-modulus 69.979 GPa

Density of States (DOS)







Electronic band structure (PBE)

S8Zn8
  
Property Value
Band gap 2.69 eV
Band degeneracy(CBM) 1.00
Band degeneracy(VBM) 3.00

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)

Bonding information







Eband_VBM -4.91459
Eband_CBM -0.99642

Data source

Property Value
Source icsd-107133-S8Zn8