Zr₂SN₂ is an intermetallic compound combining zirconium with sulfur and nitrogen, belonging to the family of refractory metal compounds. This material is primarily of research interest rather than established in high-volume industrial production, as it represents an experimental composition designed to explore the properties of zirconium-based ternary systems for potential structural and thermal applications. The incorporation of nitrogen and sulfur into a zirconium matrix may offer pathways to tailored hardness, oxidation resistance, or elevated-temperature stability depending on phase structure and processing conditions.
Compliance & Regulations
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Bulk Modulus(K)2 entries | 159.3 | GPa | DFT | ||
| ↳ | 163.6 | GPa | DFT · OptB88vdW | ||
Poisson's Ratio(ν) | 0.2900 | - | DFT · OptB88vdW | ||
Shear Modulus(G)2 entries | 68.47 | GPa | DFT | ||
| ↳ | 83.39 | GPa | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Density(ρ) | 5.471 | kg/m³ | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Band Gap(Eg)2 entries | 0.8700 | eV | DFT · OptB88vdW | ||
| ↳ | 1.272 | eV | DFT · TBmBJ | ||
Dielectric Constant (Relative Permittivity)(εr) | 16.01 range 9.711–22.30median of 2 measurements | - | DFT · PBEsol | ||
High-Frequency Dielectric Constant (ε∞)(ε∞)2 entries | 9.733 | - | DFT · OptB88vdW | ||
| ↳ | 8.429 | - | DFT · TBmBJ | ||
Electron Effective Mass(m*e) | 0.3667 | me | DFT · OptB88vdW · 27°C | ||
Hole Effective Mass(m*h) | 0.4200 | me | DFT · OptB88vdW · 27°C | ||
Magnetic Moment(μB) | 0.000 | µB | DFT · OptB88vdW | ||
Thermoelectric Power Factor(PF)2 entries | 0.00143 | W/(m·K²) | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 0.000603 | W/(m·K²) | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Seebeck Coefficient(S)2 entries | -140.1 | μV/K | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 108.8 | μV/K | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Spectroscopic Limited Maximum Efficiency (SLME)(SLME) | 33.24 | % | DFT · TBmBJ |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Energy Above Hull(ΔEhull) | 0.01190 | eV/atom | DFT · OptB88vdW | ||
Formation Energy(ΔHf) | -1.901 | 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