NaScS2 is an inorganic ceramic compound composed of sodium, scandium, and sulfur, belonging to the thioscandates family of ceramic materials. This compound is primarily of research and development interest rather than established in high-volume commercial production, with potential applications in solid-state chemistry, energy storage systems, and advanced ceramic technologies where its ionic-covalent bonding characteristics may offer thermal stability and chemical resistance. Engineers would consider NaScS2 for specialized applications requiring scandium's rare-earth properties combined with sulfide ceramics' favorable lattice engineering, though material availability and cost typically limit adoption to experimental prototypes and high-performance niche sectors.
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| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Bulk Modulus(K) | 57.07 | GPa | DFT · OptB88vdW | ||
Poisson's Ratio(ν) | 0.2300 | - | DFT · OptB88vdW | ||
Shear Modulus(G) | 38.98 | GPa | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Density(ρ) | 2.735 | kg/m³ | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Band Gap(Eg)2 entries | 1.692 | eV | DFT · OptB88vdW | ||
| ↳ | 2.344 | eV | DFT · TBmBJ | ||
Dielectric Constant (Relative Permittivity)(εr) | 19.44 | - | DFT · OptB88vdW | ||
High-Frequency Dielectric Constant (ε∞)(ε∞)2 entries | 6.887 | - | DFT · OptB88vdW | ||
| ↳ | 5.540 | - | DFT · TBmBJ | ||
Electron Effective Mass(m*e) | 0.8767 | me | DFT · OptB88vdW · 27°C | ||
Hole Effective Mass(m*h) | 1.713 | me | DFT · OptB88vdW · 27°C | ||
Magnetic Moment(μB) | 0.000 | µB | DFT · OptB88vdW | ||
Piezoelectric Modulus(eij) | 0.000 | C/m² | DFT · OptB88vdW | ||
Thermoelectric Power Factor(PF)2 entries | 0.00273 | W/(m·K²) | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 0.00235 | W/(m·K²) | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Seebeck Coefficient(S)2 entries | -293.4 | μV/K | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 270.5 | μV/K | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Spectroscopic Limited Maximum Efficiency (SLME)(SLME) | 15.63 | % | DFT · TBmBJ |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Energy Above Hull(ΔEhull) | 0.000 | eV/atom | DFT · OptB88vdW | ||
Formation Energy(ΔHf) | -1.919 | 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