Ag1As1F6

MatHub3d-142-Ag1As1F6

Basic properties

Property Value
Space group (225, "'Fm-3m'")
Magnetic False
Band gap (PBE) (eV) 3.56
Total energy (eV) -31.990
Total energy / atom (eV) -3.999

Lattice Parameters(conventional cell, from the source)

a, b, c (Å): 8.450 8.450 8.450
α, β, γ(°): 90.0 90.0 90.0

Lattice Parameters(conventional cell, relaxed)

a, b, c (Å): 8.440 8.440 8.440
α, β, γ(°): 90.0 90.0 90.0

Deformation Potential

n_type (eV): -14.498
p_type (eV): -10.515

Energy and volume

Ag1As1F6
.
Property Value
Bulk-modulus 68.411 GPa

Density of States (DOS)







Electronic band structure (PBE)

Ag1As1F6
  
Property Value
Band gap 3.56 eV

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 10.38909
Eband_CBM -2.38733

Data source

Property Value
Source mp-37153-Ag1As1F6