NaZr2SN2Cl is a ternary metal halide compound containing sodium, zirconium, sulfur, nitrogen, and chlorine—a rare mixed-anion material that sits at the intersection of ceramic and intermetallic chemistry. This is primarily a research compound rather than an established engineering material; it belongs to the family of complex metal nitride halides being investigated for solid-state ionic conductivity, catalytic properties, and potential energy storage applications. The material's notable feature is its mixed anionic framework, which can enable unusual electrochemical or structural properties compared to conventional binary or simple ternary compounds.
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| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Density(ρ) | 0.1555 | lb/in³ | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Band Gap(Eg) | 1.954 | eV | DFT · OptB88vdW | ||
High-Frequency Dielectric Constant (ε∞)(ε∞) | 6.867 | - | DFT · OptB88vdW | ||
Magnetic Moment(μB) | 0.000 | µB | DFT · OptB88vdW | ||
Thermoelectric Power Factor(PF)2 entries | 0.00115 | W/(m·K²) | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 0.000622 | W/(m·K²) | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Seebeck Coefficient(S)2 entries | -182 | μV/K | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 294.6 | μV/K | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Energy Above Hull(ΔEhull) | 0.07670 | eV/atom | DFT · OptB88vdW | ||
Formation Energy(ΔHf) | -1.843 | 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