ZnCrF6 is a zinc chromium fluoride compound that belongs to the class of metal fluoride materials with potential applications in specialized coatings and corrosion-resistant treatments. This material combines chromium's oxidation resistance with zinc's protective properties and fluoride's chemical stability, making it relevant to industries requiring enhanced surface protection in chemically aggressive environments. While not widely established in mainstream engineering, compounds in this family are investigated for high-performance coatings, catalytic applications, and protective surface treatments where conventional chromium or zinc-based systems may be insufficient.
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| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Bulk Modulus(K) | 44.82 | GPa | DFT · OptB88vdW | ||
Poisson's Ratio(ν) | 0.2000 | - | DFT · OptB88vdW | ||
Shear Modulus(G) | 36.63 | GPa | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Density(ρ) | 4.038 | kg/m³ | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Band Gap(Eg)2 entries | 0.000 | eV | DFT · OptB88vdW | ||
| ↳ | 0.2300 | eV | DFT · TBmBJ | ||
Dielectric Constant (Relative Permittivity)(εr) | 7.890 | - | DFT · PBE | ||
High-Frequency Dielectric Constant (ε∞)(ε∞) | 3.853 | - | DFT · TBmBJ | ||
Electronic Dielectric Tensor(ε∞) | Matrix (redacted) | - | DFT · PBE | ||
Total Dielectric Tensor(ε) | Matrix (redacted) | - | DFT · PBE | ||
Magnetic Moment(μB) | 2.000 | µB | DFT · OptB88vdW | ||
Thermoelectric Power Factor(PF)2 entries | 0.0000721 | W/(m·K²) | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 0.0000699 | W/(m·K²) | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Seebeck Coefficient(S)2 entries | 30.36 | μV/K | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 29.50 | μV/K | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Spectroscopic Limited Maximum Efficiency (SLME)(SLME) | 5.840 | % | DFT · TBmBJ |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Energy Above Hull(ΔEhull) | 0.00210 | eV/atom | DFT · OptB88vdW | ||
Formation Energy(ΔHf) | -2.509 | 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