ZrAsCl is an intermetallic compound combining zirconium, arsenic, and chlorine, representing a specialized ternary system with potential applications in advanced materials research. This material falls within the family of zirconium-based compounds, which are typically investigated for high-temperature stability, corrosion resistance, or electronic properties. As a research-stage compound rather than an established engineering material, ZrAsCl would be of primary interest to materials scientists exploring novel combinations of transition metals and metalloids, particularly in contexts requiring thermal stability or specific electronic behavior.
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| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Bulk Modulus(K) | 80.17 | GPa | DFT · OptB88vdW | ||
Shear Modulus(G) | 24.88 | GPa | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Density(ρ) | 5.330 | kg/m³ | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Band Gap(Eg)2 entries | 0.000 | eV | DFT · OptB88vdW | ||
| ↳ | 0.000 | eV | DFT · TBmBJ | ||
Magnetic Moment(μB) | 0.000 | µB | DFT · OptB88vdW | ||
Thermoelectric Power Factor(PF)2 entries | 0.0000363 | W/(m·K²) | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 0.000171 | W/(m·K²) | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Seebeck Coefficient(S)2 entries | -8.060 | μV/K | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 17.55 | μV/K | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Energy Above Hull(ΔEhull) | 1.183 | eV/atom | DFT · OptB88vdW | ||
Formation Energy(ΔHf) | -0.1979 | 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