Arsenic pentachloride (AsCl5) is a halide ceramic compound combining arsenic and chlorine elements, representing a class of materials studied primarily in materials science research rather than established industrial production. This compound belongs to the family of metal halide ceramics, which have drawn interest for potential applications in semiconductor research, optical materials development, and specialized chemical processing environments. AsCl5 is notable as an experimental material whose properties and stability characteristics make it relevant to researchers investigating halide-based ceramics and their structure-property relationships, though toxicity concerns and moisture sensitivity typical of arsenic compounds limit conventional engineering applications.
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| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Bulk Modulus(K) | 11.83 | GPa | DFT · OptB88vdW | ||
Exfoliation Energy(Eexf) | 131.4 | meV/atom | DFT · OptB88vdW | ||
Poisson's Ratio(ν) | 0.2300 | - | DFT · OptB88vdW | ||
Shear Modulus(G) | 5.460 | GPa | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Density(ρ) | 2.523 | kg/m³ | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Band Gap(Eg)2 entries | 1.016 | eV | DFT · OptB88vdW | ||
| ↳ | 2.440 | eV | DFT · TBmBJ | ||
Dielectric Constant (Relative Permittivity)(εr)2 entries | 6.427 | - | DFT · OptB88vdW | ||
| ↳ | 3.070 | - | DFT · PBE | ||
High-Frequency Dielectric Constant (ε∞)(ε∞)2 entries | 4.476 | - | DFT · OptB88vdW | ||
| ↳ | 3.257 | - | DFT · TBmBJ | ||
Electronic Dielectric Tensor(ε∞) | Matrix (redacted) | - | DFT · PBE | ||
Total Dielectric Tensor(ε) | Matrix (redacted) | - | DFT · PBE | ||
Magnetic Moment(μB) | 0.000 | µB | DFT · OptB88vdW | ||
Piezoelectric Modulus(eij) | 0.000 | C/m² | DFT · OptB88vdW | ||
Thermoelectric Power Factor(PF)2 entries | 0.00172 | W/(m·K²) | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 0.000905 | W/(m·K²) | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Seebeck Coefficient(S)2 entries | -214.2 | μV/K | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 391.3 | μV/K | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Spectroscopic Limited Maximum Efficiency (SLME)(SLME) | 13.83 | % | DFT · TBmBJ |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Energy Above Hull(ΔEhull) | 0.07370 | eV/atom | DFT · OptB88vdW | ||
Formation Energy(ΔHf) | -0.3908 | 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