BaZrF6 is a barium zirconium fluoride compound that belongs to the metal fluoride family, distinguished by its combination of a heavy metal cation (barium) with zirconium and fluorine. While primarily investigated in research contexts, this compound has potential applications in fluoride-based materials science, particularly in optical, thermal management, and specialized ceramic systems where fluoride compounds offer unique chemical resistance and thermal properties distinct from conventional oxides.
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| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Bulk Modulus(K) | 74.12 | GPa | DFT · OptB88vdW | ||
Poisson's Ratio(ν) | 0.3200 | - | DFT · OptB88vdW | ||
Shear Modulus(G) | 32.91 | GPa | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Density(ρ) | 4.673 | kg/m³ | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Band Gap(Eg)2 entries | 6.423 | eV | DFT · OptB88vdW | ||
| ↳ | 6.773 | eV | DFT · TBmBJ | ||
High-Frequency Dielectric Constant (ε∞)(ε∞)2 entries | 2.649 | - | DFT · OptB88vdW | ||
| ↳ | 2.336 | - | DFT · TBmBJ | ||
Magnetic Moment(μB) | 0.000 | µB | DFT · OptB88vdW | ||
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) | -4.026 | 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