Zr6CoCl15 is a zirconium-cobalt chloride compound, a metal halide cluster that belongs to the family of organometallic and coordination chemistry materials rather than conventional structural alloys. This is a research-phase compound primarily of interest in materials chemistry and coordination chemistry contexts, where such zirconium-cobalt clusters are investigated for potential applications in catalysis, metal-organic frameworks (MOFs), and advanced inorganic synthesis rather than traditional load-bearing engineering roles.
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| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Density(ρ) | 3.537 | kg/m³ | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Band Gap(Eg) | 0.9980 | eV | DFT · OptB88vdW | ||
High-Frequency Dielectric Constant (ε∞)(ε∞) | 7.125 | - | DFT · OptB88vdW | ||
Electron Effective Mass(m*e) | 1.570 | me | DFT · OptB88vdW · 27°C | ||
Hole Effective Mass(m*h) | 1.040 | me | DFT · OptB88vdW · 27°C | ||
Magnetic Moment(μB) | 0.000 | µB | DFT · OptB88vdW | ||
Thermoelectric Power Factor(PF)2 entries | 0.00150 | W/(m·K²) | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 0.00186 | W/(m·K²) | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Seebeck Coefficient(S)2 entries | -327.5 | μV/K | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 318.3 | μV/K | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Energy Above Hull(ΔEhull) | 0.000100 | eV/atom | DFT · OptB88vdW | ||
Formation Energy(ΔHf) | -1.788 | 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