BaHg2Cl2O2 is an inorganic ceramic compound containing barium, mercury, chlorine, and oxygen—a mixed-halide oxide that belongs to the family of complex metal halide ceramics. This is primarily a research and specialty material rather than a widely commercialized engineering ceramic; it represents the type of compound explored for potential applications in electrochemistry, optics, or solid-state chemistry where unusual crystal structures and ionic properties may offer advantages. The material's notable combination of density and elastic properties makes it of interest in research contexts where mercury-containing inorganic phases are investigated, though environmental and toxicity considerations typically limit practical industrial deployment compared to mercury-free alternatives.
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| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Bulk Modulus(K) | 49.61 | GPa | DFT · OptB88vdW | ||
Poisson's Ratio(ν) | 0.3800 | - | DFT · OptB88vdW | ||
Shear Modulus(G) | 16.97 | GPa | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Density(ρ) | 6.817 | kg/m³ | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Band Gap(Eg)2 entries | 1.647 | eV | DFT · OptB88vdW | ||
| ↳ | 3.035 | eV | DFT · TBmBJ | ||
High-Frequency Dielectric Constant (ε∞)(ε∞)2 entries | 4.798 | - | DFT · OptB88vdW | ||
| ↳ | 3.601 | - | DFT · TBmBJ | ||
Electron Effective Mass(m*e) | 0.2967 | me | DFT · OptB88vdW · 27°C | ||
Hole Effective Mass(m*h) | 1.353 | me | DFT · OptB88vdW · 27°C | ||
Thermoelectric Power Factor(PF)2 entries | 0.000457 | W/(m·K²) | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 0.000954 | W/(m·K²) | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Seebeck Coefficient(S)2 entries | -78.30 | μV/K | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 252.8 | μV/K | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Spectroscopic Limited Maximum Efficiency (SLME)(SLME) | 4.220 | % | DFT · TBmBJ |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Energy Above Hull(ΔEhull) | 0.000 | eV/atom | DFT · OptB88vdW | ||
Formation Energy(ΔHf) | -1.319 | 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