TlAsF6 is an inorganic ceramic compound composed of thallium, arsenic, and fluorine—a halide salt that forms a crystalline solid at room temperature. This material belongs to the family of metal hexafluoroarsenate ceramics, which are primarily of interest in specialized research contexts rather than high-volume industrial production. TlAsF6 is investigated in materials science and inorganic chemistry for its ionic conductivity properties and potential applications in solid-state electrochemistry, though its toxicity (thallium-based) and limited thermal stability restrict practical engineering use compared to safer fluoride alternatives.
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| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Bulk Modulus(K) | 22.56 | GPa | DFT · OptB88vdW | ||
Poisson's Ratio(ν) | 0.3200 | - | DFT · OptB88vdW | ||
Shear Modulus(G) | 10.99 | GPa | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Density(ρ) | 5.350 | kg/m³ | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Band Gap(Eg) | 4.313 | eV | DFT · OptB88vdW | ||
Dielectric Constant (Relative Permittivity)(εr)2 entries | 7.875 | - | DFT · OptB88vdW | ||
| ↳ | 11.35 | - | DFT · PBE | ||
High-Frequency Dielectric Constant (ε∞)(ε∞) | 2.741 | - | DFT · OptB88vdW | ||
Electronic Dielectric Tensor(ε∞) | Matrix (redacted) | - | DFT · PBE | ||
Total Dielectric Tensor(ε) | Matrix (redacted) | - | DFT · PBE | ||
Piezoelectric Modulus(eij) | 0.000 | C/m² | DFT · OptB88vdW | ||
Thermoelectric Power Factor(PF)2 entries | 0.00162 | W/(m·K²) | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 0.00100 | W/(m·K²) | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Seebeck Coefficient(S)2 entries | -320.1 | μV/K | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 428.1 | μV/K | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Spectroscopic Limited Maximum Efficiency (SLME)(SLME) | 0.000 | % | DFT · TBmBJ |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Energy Above Hull(ΔEhull) | 0.000 | eV/atom | DFT · OptB88vdW | ||
Formation Energy(ΔHf) | -2.182 | eV/atom | DFT · OptB88vdW |
Reference data from cited sources. Not verified or certified by MatWorld Inc. Verify against the source before use in design. Terms: engineering data