Th2SeN2 is a thorium-based ceramic compound combining thorium, selenium, and nitrogen in a mixed-anion system. This is a research-phase material explored primarily in solid-state chemistry and materials science contexts rather than established industrial production. The thorium chalcogenitride-nitride family is of academic interest for investigating novel crystal structures and properties that might emerge from combining multiple anion types, though practical applications remain largely experimental and would face regulatory scrutiny due to thorium's radiological properties.
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| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Bulk Modulus(K) | 122.8 | GPa | DFT · OptB88vdW | ||
Poisson's Ratio(ν) | 0.2800 | - | DFT · OptB88vdW | ||
Shear Modulus(G) | 63.48 | GPa | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Density(ρ) | 9.280 | kg/m³ | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Band Gap(Eg)2 entries | 1.676 | eV | DFT · OptB88vdW | ||
| ↳ | 2.396 | eV | DFT · TBmBJ | ||
Dielectric Constant (Relative Permittivity)(εr) | 22.04 | - | DFT · OptB88vdW | ||
High-Frequency Dielectric Constant (ε∞)(ε∞)2 entries | 8.101 | - | DFT · OptB88vdW | ||
| ↳ | 6.650 | - | 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 | 0.00113 | W/(m·K²) | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 0.00223 | W/(m·K²) | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Seebeck Coefficient(S)2 entries | -169.2 | μV/K | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 300.7 | μV/K | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Spectroscopic Limited Maximum Efficiency (SLME)(SLME) | 14.66 | % | DFT · TBmBJ |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Energy Above Hull(ΔEhull) | 0.000 | eV/atom | DFT · OptB88vdW | ||
Formation Energy(ΔHf) | -2.105 | 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