KCaNb2O6F is a mixed-metal oxide fluoride ceramic compound belonging to the niobate family, combining potassium, calcium, and niobium with fluorine substitution. This material is primarily of research interest for photonic and electrochemical applications, where the fluorine-doped niobate structure offers potential advantages in ion conductivity, optical properties, or catalytic behavior compared to conventional niobate ceramics. The fluorine incorporation is notable for modifying the crystal structure and defect chemistry, making it a candidate material for solid electrolytes, optical waveguides, or functional ceramic coatings in emerging technologies.
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| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Density(ρ) | 0.1496 | lb/in³ | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Band Gap(Eg)2 entries | 2.824 | eV | DFT · OptB88vdW | ||
| ↳ | 3.191 | eV | DFT · TBmBJ | ||
High-Frequency Dielectric Constant (ε∞)(ε∞)2 entries | 5.537 | - | DFT · OptB88vdW | ||
| ↳ | 4.059 | - | DFT · TBmBJ | ||
Magnetic Moment(μB) | 0.000 | µB | DFT · OptB88vdW | ||
Thermoelectric Power Factor(PF)2 entries | 0.00147 | W/(m·K²) | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 0.00112 | W/(m·K²) | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Seebeck Coefficient(S)2 entries | -254.8 | μV/K | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 400 | μV/K | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Spectroscopic Limited Maximum Efficiency (SLME)(SLME) | 2.890 | % | DFT · TBmBJ |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Energy Above Hull(ΔEhull) | 0.01590 | eV/atom | DFT · OptB88vdW | ||
Formation Energy(ΔHf) | -2.995 | 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