Aluminum fluoride (AlF3) is an inorganic ceramic compound that exists in multiple polymorphic forms and is primarily valued for its high melting point and chemical stability. In industry, AlF3 serves as a critical flux agent in aluminum smelting (Hall-Héroult process), where it lowers the melting point of cryolite and improves electrical conductivity of the molten bath. It is also used as a raw material in specialty ceramics, abrasives, and optical applications, and has been investigated in research contexts for potential use in fluoride-based batteries and advanced refractory systems where thermal stability and resistance to molten metal corrosion are essential.
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| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Bulk Modulus(K)2 entries | 6,543 | ksi | DFT | ||
| ↳ | 8,229.4 | ksi | DFT · OptB88vdW | ||
Poisson's Ratio(ν) | 0.03000 | - | DFT · OptB88vdW | ||
Shear Modulus(G)2 entries | 9,006.8 | ksi | DFT | ||
| ↳ | 10,986.6 | ksi | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Density(ρ) | 0.1166 | lb/in³ | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Band Gap(Eg)2 entries | 8.240 | eV | DFT · OptB88vdW | ||
| ↳ | 11.01 | eV | DFT · TBmBJ | ||
Dielectric Constant (Relative Permittivity)(εr)3 entries | 5.186 | - | DFT · OptB88vdW | ||
| ↳ | 4.990 | - | DFT · PBE | ||
| ↳ | 3.392 range 1.972–4.813median of 2 measurements | - | DFT · PBEsol | ||
High-Frequency Dielectric Constant (ε∞)(ε∞)2 entries | 1.982 | - | DFT · OptB88vdW | ||
| ↳ | 1.684 | - | 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 | 0.000663 | W/(m·K²) | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 0.000990 | W/(m·K²) | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Seebeck Coefficient(S)2 entries | -115.3 | μV/K | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 490.7 | 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) | 0.000 | eV/atom | DFT · OptB88vdW | ||
Formation Energy(ΔHf)2 entries | -3.755 | eV/atom | DFT · OptB88vdW | ||
| ↳ | -3.914 | eV/atom | Measured |
Reference data from cited sources. Not verified or certified by MatWorld Inc. Verify against the source before use in design. Terms: engineering data