ThFe4P12 is a rare-earth intermetallic compound containing thorium, iron, and phosphorus in a 1:4:12 stoichiometric ratio. This material belongs to the family of skutterudite-related phases, which are primarily investigated for thermoelectric and quantum materials applications due to their unique crystal structure and electronic properties. ThFe4P12 remains largely a research compound, with potential utility in high-temperature thermoelectric generators, magnetocaloric devices, or fundamental condensed-matter physics studies exploring electron-phonon interactions and exotic ground states.
Compliance & Regulations
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Density(ρ) | 5.667 | kg/m³ | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Band Gap(Eg) | 0.5150 | eV | DFT · OptB88vdW | ||
High-Frequency Dielectric Constant (ε∞)(ε∞) | 23.18 | - | DFT · OptB88vdW | ||
Electron Effective Mass(m*e) | 1.340 | me | DFT · OptB88vdW · 27°C | ||
Hole Effective Mass(m*h) | 0.2800 | me | DFT · OptB88vdW · 27°C | ||
Magnetic Moment(μB) | 0.000 | µB | DFT · OptB88vdW | ||
Thermoelectric Power Factor(PF)2 entries | 0.00228 | W/(m·K²) | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 0.000588 | W/(m·K²) | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Seebeck Coefficient(S)2 entries | -366.9 | μV/K | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 96.37 | μV/K | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Energy Above Hull(ΔEhull) | 0.000 | eV/atom | DFT · OptB88vdW | ||
Formation Energy(ΔHf) | -0.6693 | 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