Ag1F6Ti1

MatHub3d-255-Ag1F6Ti1

Property Value
Space group (2, "'P-1'")
Magnetic True
Magnetic moment (μB) 0.99
Band gap (PBE) (eV) 2.00
Total energy (eV) -37.121
Total energy / atom (eV) -4.640

Lattice Parameters(conventional cell, from the source)

a, b, c (Å): 5.260 5.460 5.620
α, β, γ(°): 63.0 90.0 61.0

Lattice Parameters(conventional cell, relaxed)

a, b, c (Å): 5.150 5.240 5.260
α, β, γ(°): 75.9 84.9 61.2

Deformation Potential

n_type (eV): -0.146
p_type (eV): 3.418
Ag1F6Ti1
.
Property Value
Bulk-modulus 94.345 GPa






Ag1F6Ti1
  
Property Value
Band gap 2.00 eV
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)
Property Value
Source mp-10810-Ag1F6Ti1