As8O16

MatHub3d-6866-As8O16

Basic properties

Property Value
Space group (62, "'Pnma'")
Magnetic False
Band gap (PBE) (eV) 3.34
Total energy (eV) -143.499
Total energy / atom (eV) -5.979

Lattice Parameters(from the source)

a, b, c (Å): 8.600 5.240 7.270
α, β, γ(°): 90.0 90.0 90.0

Lattice Parameters(computed)

a, b, c (Å): 9.020 5.320 7.580
α, β, γ(°): 90.0 90.0 90.0

Deformation Potential

n_type (eV): -16.251
p_type (eV): -6.387

Energy and volume

As8O16
.
Property Value
Bulk-modulus 118.444 GPa

Density of States (DOS)







Electronic band structure (PBE)

As8O16
  
Property Value
Band gap 3.34 eV
Band degeneracy(CBM) 4.00
Band degeneracy(VBM) 2.00

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 -1.3795
Eband_CBM -5.47756

Data source

Property Value
Source icsd-10436-As8O16