ZrNCl is a layered transition metal compound combining zirconium, nitrogen, and chlorine—a member of the emerging class of ternary metal nitride halides. This is primarily a research material explored for its potential as a two-dimensional or exfoliable compound, relevant to next-generation electronics, energy storage, and nanostructured applications where layer separation and novel electronic properties are desired. It is not currently established in mainstream industrial production, but the material family is of growing interest in materials science for catalysis, battery electrodes, and semiconductor research where unconventional bonding and tunable band structures offer advantages over traditional binary compounds.
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| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Bulk Modulus(K) | 9,752.3 | ksi | DFT · OptB88vdW | ||
Exfoliation Energy(Eexf) | 34.44 | meV/atom | DFT · OptB88vdW | ||
Poisson's Ratio(ν) | 0.3000 | - | DFT · OptB88vdW | ||
Shear Modulus(G) | 4,607.8 | ksi | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Density(ρ) | 0.1600 | lb/in³ | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Band Gap(Eg) | 1.765 | eV | DFT · OptB88vdW | ||
High-Frequency Dielectric Constant (ε∞)(ε∞) | 6.288 | - | DFT · OptB88vdW | ||
Magnetic Moment(μB) | 0.000 | µB | DFT · OptB88vdW | ||
Thermoelectric Power Factor(PF)2 entries | 0.00219 | W/(m·K²) | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 0.000801 | W/(m·K²) | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Seebeck Coefficient(S)2 entries | -262.9 | μV/K | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 197.4 | μV/K | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Energy Above Hull(ΔEhull) | 0.000300 | eV/atom | DFT · OptB88vdW | ||
Formation Energy(ΔHf) | -1.983 | 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