Na4HgP2 is an inorganic ceramic compound containing sodium, mercury, and phosphorus elements, representing a specialized phosphide ceramic with potential applications in solid-state chemistry and materials research. This is primarily a research-phase material rather than an established engineering ceramic; compounds in this family are investigated for their structural properties and potential use in electrochemical or thermal applications where mercury-containing phosphides may offer unique electronic or ionic transport characteristics. Engineers would consider such materials in niche applications requiring specific chemical reactivity or phase stability rather than for general-purpose structural or thermal engineering.
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| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Bulk Modulus(K) | 25.42 | GPa | DFT · OptB88vdW | ||
Poisson's Ratio(ν) | 0.2800 | - | DFT · OptB88vdW | ||
Shear Modulus(G) | 14.93 | GPa | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Density(ρ) | 3.202 | kg/m³ | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Band Gap(Eg)2 entries | 0.9420 | eV | DFT · OptB88vdW | ||
| ↳ | 1.868 | eV | DFT · TBmBJ | ||
Dielectric Constant (Relative Permittivity)(εr)2 entries | 10.11 | - | DFT · PBE | ||
| ↳ | 8.076 range 6.163–9.988median of 2 measurements | - | DFT · PBEsol | ||
High-Frequency Dielectric Constant (ε∞)(ε∞)2 entries | 7.309 | - | DFT · OptB88vdW | ||
| ↳ | 5.079 | - | DFT · TBmBJ | ||
Electronic Dielectric Tensor(ε∞) | Matrix (redacted) | - | DFT · PBE | ||
Total Dielectric Tensor(ε) | Matrix (redacted) | - | DFT · PBE | ||
Electron Effective Mass(m*e) | 0.5000 | me | DFT · OptB88vdW · 27°C | ||
Hole Effective Mass(m*h) | 1.547 | me | DFT · OptB88vdW · 27°C | ||
Magnetic Moment(μB) | 0.000 | µB | DFT · OptB88vdW | ||
Thermoelectric Power Factor(PF)2 entries | 0.00317 | W/(m·K²) | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 0.00206 | W/(m·K²) | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Seebeck Coefficient(S)2 entries | -247.7 | μV/K | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 339.4 | μV/K | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Spectroscopic Limited Maximum Efficiency (SLME)(SLME) | 25.83 | % | DFT · TBmBJ |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Energy Above Hull(ΔEhull) | 0.00380 | eV/atom | DFT · OptB88vdW | ||
Formation Energy(ΔHf) | -0.3766 | 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