As8O24Zn12

MatHub3d-6872-As8O24Zn12

Basic properties

Property Value
Space group (55, "'Pbam'")
Magnetic False
Band gap (PBE) (eV) 3.71
Total energy (eV) -230.566
Total energy / atom (eV) -5.240

Lattice Parameters(from the source)

a, b, c (Å): 6.090 14.410 7.810
α, β, γ(°): 90.0 90.0 90.0

Lattice Parameters(computed)

a, b, c (Å): 6.110 14.230 7.840
α, β, γ(°): 90.0 90.0 90.0

Deformation Potential

n_type (eV): -9.141
p_type (eV): -8.878

Energy and volume

As8O24Zn12
.
Property Value
Bulk-modulus 103.987 GPa

Density of States (DOS)







Electronic band structure (PBE)

As8O24Zn12
  
Property Value
Band gap 3.71 eV
Band degeneracy(CBM) 1.00
Band degeneracy(VBM) 1.00

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 -3.45272
Eband_CBM -45.88583

Data source

Property Value
Source icsd-10400-As8O24Zn12