CaPdF6 is a ceramic compound composed of calcium, palladium, and fluorine, representing a rare intermetallic fluoride in the advanced ceramics family. This is a research or specialty compound not commonly encountered in mainstream engineering; it belongs to the broader class of metal fluorides that are investigated for their unique electrochemical, thermal, and structural properties. Interest in such compounds typically centers on their potential as solid electrolytes, catalytic materials, or high-performance ceramic components where fluoride-based chemistry offers advantages over conventional oxides.
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| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Bulk Modulus(K) | 31.38 | GPa | DFT · OptB88vdW | ||
Poisson's Ratio(ν) | 0.2700 | - | DFT · OptB88vdW | ||
Shear Modulus(G) | 21.65 | GPa | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Density(ρ) | 3.832 | kg/m³ | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Band Gap(Eg) | 2.170 | eV | DFT · OptB88vdW | ||
Dielectric Constant (Relative Permittivity)(εr)3 entries | 6.053 | - | DFT · OptB88vdW | ||
| ↳ | 5.550 | - | DFT · PBE | ||
| ↳ | 4.026 range 2.668–5.384median of 2 measurements | - | DFT · PBEsol | ||
High-Frequency Dielectric Constant (ε∞)(ε∞) | 3.432 | - | DFT · OptB88vdW | ||
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 | 0.000275 | W/(m·K²) | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 0.000288 | W/(m·K²) | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Seebeck Coefficient(S)2 entries | -452.4 | μV/K | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 533 | μV/K | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Spectroscopic Limited Maximum Efficiency (SLME)(SLME) | 24.31 | % | DFT · TBmBJ |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Energy Above Hull(ΔEhull) | 0.000 | eV/atom | DFT · OptB88vdW | ||
Formation Energy(ΔHf) | -2.424 | 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