Hg2P3Br is a mixed-metal halide ceramic compound containing mercury, phosphorus, and bromine elements. This is a research-phase material studied primarily in solid-state chemistry and materials science rather than established industrial production, with potential applications in semiconducting or photonic devices that exploit halide perovskite-like structures. The material belongs to an emerging class of metal halides being investigated for optoelectronic properties and may offer alternative pathways for devices where lead-free or mercury-based chemistries are explored, though commercial viability and toxicity considerations remain significant research questions.
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| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Bulk Modulus(K) | 47.28 | GPa | DFT · OptB88vdW | ||
Poisson's Ratio(ν) | 0.3100 | - | DFT · OptB88vdW | ||
Shear Modulus(G) | 21.37 | GPa | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Density(ρ) | 6.535 | kg/m³ | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Band Gap(Eg)2 entries | 0.9580 | eV | DFT · OptB88vdW | ||
| ↳ | 1.724 | eV | DFT · TBmBJ | ||
High-Frequency Dielectric Constant (ε∞)(ε∞)2 entries | 11.54 | - | DFT · OptB88vdW | ||
| ↳ | 8.003 | - | DFT · TBmBJ | ||
Electron Effective Mass(m*e) | 1.410 | me | DFT · OptB88vdW · 27°C | ||
Hole Effective Mass(m*h) | 1.040 | me | DFT · OptB88vdW · 27°C | ||
Magnetic Moment(μB) | 0.000 | µB | DFT · OptB88vdW | ||
Thermoelectric Power Factor(PF)2 entries | 0.00151 | W/(m·K²) | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 0.00170 | W/(m·K²) | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Seebeck Coefficient(S)2 entries | -174.6 | μV/K | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 251.3 | μV/K | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Spectroscopic Limited Maximum Efficiency (SLME)(SLME) | 28.84 | % | DFT · TBmBJ |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Energy Above Hull(ΔEhull) | 0.02930 | eV/atom | DFT · OptB88vdW | ||
Formation Energy(ΔHf) | -0.05973 | 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