Zr₆Cl₁₂ is a zirconium chloride coordination compound, a discrete metal halide complex rather than a conventional alloy or solid-state metallic material. This compound belongs to the family of early transition metal halides and is primarily of research and academic interest, studied for its structural chemistry, reactivity, and potential applications in synthesis and materials science rather than as an engineering structural material.
Compliance & Regulations
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Density(ρ) | 5.553 | kg/m³ | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Band Gap(Eg) | 0.2850 | eV | DFT · OptB88vdW | ||
High-Frequency Dielectric Constant (ε∞)(ε∞) | 12.62 | - | DFT · OptB88vdW | ||
Electron Effective Mass(m*e) | 0.01000 | me | DFT · OptB88vdW · 27°C | ||
Hole Effective Mass(m*h) | 0.01000 | me | DFT · OptB88vdW · 27°C | ||
Magnetic Moment(μB) | 0.000 | µB | DFT · OptB88vdW | ||
Thermoelectric Power Factor(PF)2 entries | 0.000576 | W/(m·K²) | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 0.000896 | W/(m·K²) | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Seebeck Coefficient(S)2 entries | -174.7 | μV/K | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | -22.77 | μV/K | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Energy Above Hull(ΔEhull) | 0.000 | eV/atom | DFT · OptB88vdW | ||
Formation Energy(ΔHf) | -0.9981 | 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