K2PAu is an intermetallic compound combining potassium, phosphorus, and gold—a rare combination not commonly encountered in conventional engineering practice. This material belongs to the family of precious-metal intermetallics and appears to be primarily of research or theoretical interest rather than an established industrial material; its potential relevance lies in specialized applications where the unique chemical properties of gold combined with ionic potassium and phosphorus might offer distinctive electronic, catalytic, or structural characteristics.
Compliance & Regulations
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Bulk Modulus(K) | 27.13 | GPa | DFT · OptB88vdW | ||
Poisson's Ratio(ν) | 0.3000 | - | DFT · OptB88vdW | ||
Shear Modulus(G) | 13.50 | GPa | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Density(ρ) | 4.559 | kg/m³ | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Band Gap(Eg)2 entries | 0.9560 | eV | DFT · OptB88vdW | ||
| ↳ | 1.749 | eV | DFT · TBmBJ | ||
Dielectric Constant (Relative Permittivity)(εr)3 entries | 18.97 | - | DFT · OptB88vdW | ||
| ↳ | 16.02 | - | DFT · PBE | ||
| ↳ | 10.12 range 7.205–13.04median of 2 measurements | - | DFT · PBEsol | ||
High-Frequency Dielectric Constant (ε∞)(ε∞)2 entries | 8.163 | - | DFT · OptB88vdW | ||
| ↳ | 5.816 | - | DFT · TBmBJ | ||
Electronic Dielectric Tensor(ε∞) | Matrix (redacted) | - | DFT · PBE | ||
Total Dielectric Tensor(ε) | Matrix (redacted) | - | DFT · PBE | ||
Magnetic Moment(μB) | 0.000 | µB | DFT · OptB88vdW | ||
Piezoelectric Modulus(eij) | 0.000 | C/m² | DFT · OptB88vdW | ||
Thermoelectric Power Factor(PF)2 entries | 0.000942 | W/(m·K²) | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 0.00103 | W/(m·K²) | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Seebeck Coefficient(S)2 entries | -103.2 | μV/K | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 319.2 | μV/K | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Spectroscopic Limited Maximum Efficiency (SLME)(SLME) | 28.34 | % | DFT · TBmBJ |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Energy Above Hull(ΔEhull) | 0.000 | eV/atom | DFT · OptB88vdW | ||
Formation Energy(ΔHf) | -0.5838 | 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