NbTl3Se4 is an intermetallic compound combining niobium, thallium, and selenium, representing a ternary metal-based material from the transition metal chalcogenide family. This is a research-phase compound not yet established in mainstream industrial production; materials in this compositional space are primarily investigated for their potential electronic and thermal properties in condensed matter physics and materials discovery programs. The material's relevance lies in fundamental studies of electronic structure, superconductivity screening, and thermoelectric applications, where the combination of heavy elements and layered chalcogenide chemistry offers potential for unusual transport phenomena.
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| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Bulk Modulus(K) | 23.90 | GPa | DFT · OptB88vdW | ||
Poisson's Ratio(ν) | 0.3800 | - | DFT · OptB88vdW | ||
Shear Modulus(G) | 8.520 | GPa | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Density(ρ) | 6.798 | kg/m³ | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Band Gap(Eg)2 entries | 1.986 | eV | DFT · OptB88vdW | ||
| ↳ | 2.064 | eV | DFT · TBmBJ | ||
Dielectric Constant (Relative Permittivity)(εr) | 18.96 | - | DFT · OptB88vdW | ||
High-Frequency Dielectric Constant (ε∞)(ε∞)2 entries | 9.347 | - | DFT · OptB88vdW | ||
| ↳ | 8.034 | - | DFT · TBmBJ | ||
Electron Effective Mass(m*e) | 1.780 | me | DFT · OptB88vdW · 27°C | ||
Hole Effective Mass(m*h) | 0.6700 | me | DFT · OptB88vdW · 27°C | ||
Magnetic Moment(μB) | 0.000 | µB | DFT · OptB88vdW | ||
Piezoelectric Modulus(eij) | 0.1931 | C/m² | DFT · OptB88vdW | ||
Thermoelectric Power Factor(PF)2 entries | 0.00190 | W/(m·K²) | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 0.00335 | W/(m·K²) | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Seebeck Coefficient(S)2 entries | -398.4 | μV/K | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 314 | μV/K | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Spectroscopic Limited Maximum Efficiency (SLME)(SLME) | 21.56 | % | DFT · TBmBJ |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Energy Above Hull(ΔEhull) | 0.000 | eV/atom | DFT · OptB88vdW | ||
Formation Energy(ΔHf) | -0.6019 | 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