Ba5Ta2Cl2O9 is an oxychloride ceramic compound combining barium, tantalum, chlorine, and oxygen—a mixed-anion ceramic that blends properties of both oxide and halide systems. This is a research-phase material rather than an established commercial ceramic; compounds in this family are investigated for their potential in high-temperature applications, electrical ceramics, and specialized optical or photocatalytic devices where the unique anion chemistry may offer performance advantages over conventional oxides.
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| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Bulk Modulus(K) | 55.36 | GPa | DFT · OptB88vdW | ||
Poisson's Ratio(ν) | 0.3300 | - | DFT · OptB88vdW | ||
Shear Modulus(G) | 24.41 | GPa | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Density(ρ) | 5.370 | kg/m³ | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Band Gap(Eg)2 entries | 3.356 | eV | DFT · OptB88vdW | ||
| ↳ | 5.205 | eV | DFT · TBmBJ | ||
High-Frequency Dielectric Constant (ε∞)(ε∞)2 entries | 3.767 | - | DFT · OptB88vdW | ||
| ↳ | 3.148 | - | DFT · TBmBJ | ||
Thermoelectric Power Factor(PF)2 entries | 0.000755 | W/(m·K²) | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 0.000559 | W/(m·K²) | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Seebeck Coefficient(S)2 entries | -159.5 | μV/K | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 297.1 | 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) | -3.104 | 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