Ba2CuF6 is an inorganic fluoride compound combining barium and copper in a crystalline structure; it functions as a ceramic or intermetallic material rather than a conventional metal despite its classification. This compound is primarily investigated in research contexts for applications requiring fluoride-containing inorganic phases, particularly in electrochemistry, solid-state synthesis, and specialized coatings where fluoride chemistry offers corrosion resistance or unique ionic properties. Ba2CuF6 is notable in materials chemistry for its potential in solid electrolytes, fluoride-based ceramics, and as a precursor phase in multicomponent ceramic or composite systems where barium-copper interactions are desirable.
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| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Bulk Modulus(K) | 51.00 | GPa | DFT · OptB88vdW | ||
Poisson's Ratio(ν) | 0.3100 | - | DFT · OptB88vdW | ||
Shear Modulus(G) | 23.28 | GPa | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Density(ρ) | 5.478 | kg/m³ | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Band Gap(Eg) | 0.8280 | eV | DFT · OptB88vdW | ||
High-Frequency Dielectric Constant (ε∞)(ε∞) | 8.850 | - | DFT · OptB88vdW | ||
Magnetic Moment(μB) | 0.9980 | µB | DFT · OptB88vdW | ||
Thermoelectric Power Factor(PF)2 entries | 0.000519 | W/(m·K²) | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 0.000657 | W/(m·K²) | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Seebeck Coefficient(S)2 entries | -340.5 | μV/K | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 384.4 | μV/K | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Energy Above Hull(ΔEhull) | 0.00740 | eV/atom | DFT · OptB88vdW | ||
Formation Energy(ΔHf) | -3.284 | 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