Ag1Bi1Cr2O8

MatHub3d-170-Ag1Bi1Cr2O8

Basic properties

Property Value
Space group (82, "'I-4'")
Magnetic False
Band gap (PBE) (eV) 1.96
Total energy (eV) -72.883
Total energy / atom (eV) -6.074

Lattice Parameters(conventional cell, from the source)

a, b, c (Å): 5.140 5.140 11.830
α, β, γ(°): 90.0 90.0 90.0

Lattice Parameters(conventional cell, relaxed)

a, b, c (Å): 5.140 5.140 11.870
α, β, γ(°): 90.0 90.0 90.0

Deformation Potential

n_type (eV): -2.066
p_type (eV): 0.611

Energy and volume

Ag1Bi1Cr2O8
.
Property Value
Bulk-modulus 149.850 GPa

Density of States (DOS)







Electronic band structure (PBE)

Ag1Bi1Cr2O8
  
Property Value
Band gap 1.96 eV
Band degeneracy(CBM) 4.00
Band degeneracy(VBM) 4.00

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 -22.80503
Eband_CBM -57.54109

Data source

Property Value
Source mp-565669-Ag1Bi1Cr2O8