NaNbCu2S4 is a quaternary sulfide compound combining sodium, niobium, and copper—a research-phase material belonging to the thiospinel or related metal sulfide family. This compound is primarily investigated for electrochemical energy storage applications, particularly as a potential cathode or anode material in next-generation battery systems, where its mixed-valence transition metal composition and sulfide chemistry offer opportunities for tunable redox activity and ionic conductivity that differ from conventional oxide-based battery materials.
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| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Density(ρ) | 3.329 | kg/m³ | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Band Gap(Eg)2 entries | 1.665 | eV | DFT · OptB88vdW | ||
| ↳ | 1.781 | eV | DFT · TBmBJ | ||
Dielectric Constant (Relative Permittivity)(εr) | 13.07 | - | DFT · OptB88vdW | ||
High-Frequency Dielectric Constant (ε∞)(ε∞)2 entries | 7.058 | - | DFT · OptB88vdW | ||
| ↳ | 6.595 | - | DFT · TBmBJ | ||
Magnetic Moment(μB) | 0.000 | µB | DFT · OptB88vdW | ||
Piezoelectric Modulus(eij) | 0.3183 | C/m² | DFT · OptB88vdW | ||
Thermoelectric Power Factor(PF)2 entries | 0.000945 | W/(m·K²) | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 0.00128 | W/(m·K²) | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Seebeck Coefficient(S)2 entries | -316.9 | μV/K | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 348.1 | μV/K | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Spectroscopic Limited Maximum Efficiency (SLME)(SLME) | 27.71 | % | DFT · TBmBJ |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Energy Above Hull(ΔEhull) | 0.01440 | eV/atom | DFT · OptB88vdW | ||
Formation Energy(ΔHf) | -0.7945 | 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