ThNCl is a layered ceramic compound containing thorium, nitrogen, and chlorine elements, representing an experimental material in the family of actinide nitride halides. This compound is primarily of research interest for its potential in advanced nuclear materials and solid-state chemistry applications, where its layered crystal structure and chemical stability may offer unique properties for specialized high-performance environments. Materials in this class are explored for potential use in nuclear fuel systems, refractory applications, and fundamental studies of actinide chemistry, though ThNCl remains largely a laboratory-scale compound without established commercial deployment.
Compliance & Regulations
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Exfoliation Energy(Eexf) | 122.6 | meV/atom | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Density(ρ) | 7.965 | kg/m³ | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Band Gap(Eg)2 entries | 2.542 | eV | DFT · OptB88vdW | ||
| ↳ | 3.048 | eV | DFT · TBmBJ | ||
Dielectric Constant (Relative Permittivity)(εr) | 30.48 | - | DFT · OptB88vdW | ||
High-Frequency Dielectric Constant (ε∞)(ε∞)2 entries | 6.117 | - | DFT · OptB88vdW | ||
| ↳ | 5.490 | - | DFT · TBmBJ | ||
Magnetic Moment(μB) | 0.000 | µB | DFT · OptB88vdW | ||
Piezoelectric Modulus(eij) | 0.000 | C/m² | DFT · OptB88vdW | ||
Thermoelectric Power Factor(PF)2 entries | 0.00104 | W/(m·K²) | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 0.00364 | W/(m·K²) | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Seebeck Coefficient(S)2 entries | -164.8 | μV/K | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 375 | μV/K | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Spectroscopic Limited Maximum Efficiency (SLME)(SLME) | 4.050 | % | DFT · TBmBJ |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Energy Above Hull(ΔEhull) | 0.000 | eV/atom | DFT · OptB88vdW | ||
Formation Energy(ΔHf) | -2.306 | 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