Calcium titanium fluoride (CaTiF₆) is an inorganic fluoride compound that belongs to the family of metal fluorides, distinguished by its combined calcium and titanium chemistry. While not a traditional structural metal, CaTiF₆ is primarily of research and specialized industrial interest, particularly in optical coatings, fluoride glass formulations, and advanced ceramics where fluoride-based materials offer unique refractive properties and chemical stability. Its adoption in commercial applications remains limited compared to established alternatives, making it most relevant to engineers developing next-generation optical systems or specialized corrosion-resistant coatings in extreme chemical environments.
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| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Bulk Modulus(K) | 8,998.1 | ksi | DFT · OptB88vdW | ||
Poisson's Ratio(ν) | 0.3200 | - | DFT · OptB88vdW | ||
Shear Modulus(G) | 5,199.6 | ksi | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Density(ρ) | 0.08483 | lb/in³ | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Band Gap(Eg)2 entries | 4.761 | eV | DFT · OptB88vdW | ||
| ↳ | 5.050 | eV | DFT · TBmBJ | ||
Dielectric Constant (Relative Permittivity)(εr)3 entries | 6.077 | - | DFT · OptB88vdW | ||
| ↳ | 6.380 | - | DFT · PBE | ||
| ↳ | 4.303 range 2.145–6.461median of 2 measurements | - | DFT · PBEsol | ||
High-Frequency Dielectric Constant (ε∞)(ε∞)2 entries | 2.650 | - | DFT · OptB88vdW | ||
| ↳ | 2.305 | - | 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 | 0.000125 | W/(m·K²) | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 0.000149 | W/(m·K²) | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Seebeck Coefficient(S)2 entries | -501.1 | μV/K | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 580.7 | 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) | 0.01220 | eV/atom | DFT · OptB88vdW | ||
Formation Energy(ΔHf) | -3.764 | 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