Nd4S3NCl3 is a rare-earth oxynitride chloride ceramic compound containing neodymium, sulfur, nitrogen, and chlorine—a compositionally complex material that sits at the intersection of nitride and halide ceramic chemistry. This is primarily a research material explored for its potential in advanced ceramic applications where rare-earth doping and mixed-anion frameworks offer unique electronic or thermal properties. The material's relevance lies in fundamental materials science investigations into ceramic composites and solid-state chemistry rather than established commercial applications; engineers may encounter it in experimental studies of high-performance ceramics, thermal management systems, or solid electrolytes where neodymium-containing phases show promise.
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| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Bulk Modulus(K) | 64.31 | GPa | DFT · OptB88vdW | ||
Poisson's Ratio(ν) | 0.3500 | - | DFT · OptB88vdW | ||
Shear Modulus(G) | 23.03 | GPa | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Density(ρ) | 5.105 | kg/m³ | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Band Gap(Eg)2 entries | 3.076 | eV | DFT · OptB88vdW | ||
| ↳ | 3.805 | eV | DFT · TBmBJ | ||
Dielectric Constant (Relative Permittivity)(εr) | 17.68 | - | DFT · OptB88vdW | ||
High-Frequency Dielectric Constant (ε∞)(ε∞)2 entries | 6.269 | - | DFT · OptB88vdW | ||
| ↳ | 5.246 | - | DFT · TBmBJ | ||
Piezoelectric Modulus(eij) | 0.04980 | C/m² | DFT · OptB88vdW | ||
Thermoelectric Power Factor(PF)2 entries | 0.000678 | W/(m·K²) | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 0.000913 | W/(m·K²) | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Seebeck Coefficient(S)2 entries | -394.3 | μV/K | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 342.6 | μV/K | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Spectroscopic Limited Maximum Efficiency (SLME)(SLME) | 0.2400 | % | DFT · TBmBJ |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Energy Above Hull(ΔEhull) | 0.000 | eV/atom | DFT · OptB88vdW | ||
Formation Energy(ΔHf) | -2.243 | 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