HgHOF is an experimental metal-organic framework (MOF) ceramic combining mercury, oxygen, and fluorine components, representing an emerging class of hybrid inorganic-organic ceramics. While MOFs are primarily investigated for gas storage, separation, and catalysis applications in chemical engineering, mercury-containing variants remain largely in research phases and are not widely deployed in established industrial applications. Engineers considering this material would be evaluating it for specialized roles in sensing, catalytic processes, or advanced separations where its unique chemical environment offers advantages over conventional ceramics, though practical deployment constraints and material stability require careful assessment.
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| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Bulk Modulus(K) | 46.50 | GPa | DFT · OptB88vdW | ||
Poisson's Ratio(ν) | 0.3700 | - | DFT · OptB88vdW | ||
Shear Modulus(G) | 14.42 | GPa | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Density(ρ) | 7.492 | kg/m³ | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Band Gap(Eg)2 entries | 1.395 | eV | DFT · OptB88vdW | ||
| ↳ | 2.915 | eV | DFT · TBmBJ | ||
Dielectric Constant (Relative Permittivity)(εr) | 10.41 | - | DFT · OptB88vdW | ||
High-Frequency Dielectric Constant (ε∞)(ε∞)2 entries | 3.928 | - | DFT · OptB88vdW | ||
| ↳ | 2.613 | - | DFT · TBmBJ | ||
Electron Effective Mass(m*e) | 0.9233 | me | DFT · OptB88vdW · 27°C | ||
Hole Effective Mass(m*h) | 2.460 | me | DFT · OptB88vdW · 27°C | ||
Magnetic Moment(μB) | 0.000 | µB | DFT · OptB88vdW | ||
Piezoelectric Modulus(eij) | 0.07162 | C/m² | DFT · OptB88vdW | ||
Thermoelectric Power Factor(PF)2 entries | 0.00136 | W/(m·K²) | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 0.00161 | W/(m·K²) | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Seebeck Coefficient(S)2 entries | -180 | μV/K | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 398.6 | μV/K | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Spectroscopic Limited Maximum Efficiency (SLME)(SLME) | 5.700 | % | DFT · TBmBJ |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Energy Above Hull(ΔEhull) | 0.000 | eV/atom | DFT · OptB88vdW | ||
Formation Energy(ΔHf) | -1.003 | 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