Cu3TeS3Cl is a quaternary copper tellurium sulfide halide compound, representing an experimental mixed-anion material that combines metallic copper with tellurium, sulfur, and chlorine. This compound belongs to the family of multinary chalcogenides and is primarily of research interest for its potential in functional materials applications, particularly where combined electronic and ionic transport properties might be exploited. Such materials are being investigated for thermoelectric conversion, solid-state ionics, and photovoltaic device components, though Cu3TeS3Cl remains largely in the development phase rather than established industrial use.
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| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Density(ρ) | 0.1658 | lb/in³ | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Band Gap(Eg)2 entries | 0.8480 | eV | DFT · OptB88vdW | ||
| ↳ | 1.072 | eV | DFT · TBmBJ | ||
Dielectric Constant (Relative Permittivity)(εr) | 15.01 | - | DFT · OptB88vdW | ||
High-Frequency Dielectric Constant (ε∞)(ε∞)2 entries | 10.91 | - | DFT · OptB88vdW | ||
| ↳ | 8.496 | - | DFT · TBmBJ | ||
Electron Effective Mass(m*e) | 0.9867 | me | DFT · OptB88vdW · 27°C | ||
Hole Effective Mass(m*h) | 1.227 | me | DFT · OptB88vdW · 27°C | ||
Magnetic Moment(μB) | 0.000 | µB | DFT · OptB88vdW | ||
Piezoelectric Modulus(eij)2 entries | 0.4155 | C/m² | DFT · OptB88vdW | ||
| ↳ | 0.1184 | C/m² | DFT · PBE | ||
Piezoelectric Stress Tensor(eij) | Matrix (redacted) | C/m² | DFT · PBE | ||
Thermoelectric Power Factor(PF)2 entries | 0.00290 | W/(m·K²) | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 0.00193 | W/(m·K²) | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Seebeck Coefficient(S)2 entries | -325.2 | μV/K | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 337 | μV/K | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Spectroscopic Limited Maximum Efficiency (SLME)(SLME) | 32.49 | % | DFT · TBmBJ |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Energy Above Hull(ΔEhull) | 0.02560 | eV/atom | DFT · OptB88vdW | ||
Formation Energy(ΔHf) | -0.2694 | 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