Mo3WSe4S4 is a mixed-metal chalcogenide compound combining molybdenum, tungsten, selenium, and sulfur—representing an emerging class of layered transition-metal dichalcogenides (TMDCs) and their heterostructured variants. This is primarily a research material under investigation for semiconducting and catalytic applications, rather than an established commercial material. Engineering interest centers on its potential for electrocatalysis, photoelectrochemical devices, and energy conversion systems, where the multi-metal composition may offer tuned electronic properties and enhanced active sites compared to single-metal chalcogenide alternatives.
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| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Bulk Modulus(K) | 984.8 | ksi | DFT · OptB88vdW | ||
Poisson's Ratio(ν) | 0.3100 | - | DFT · OptB88vdW | ||
Shear Modulus(G) | 422.1 | ksi | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Density(ρ) | 0.1744 | lb/in³ | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Band Gap(Eg)2 entries | 0.5940 | eV | DFT · OptB88vdW | ||
| ↳ | 0.7710 | eV | DFT · TBmBJ | ||
Dielectric Constant (Relative Permittivity)(εr) | 12.42 | - | DFT · OptB88vdW | ||
High-Frequency Dielectric Constant (ε∞)(ε∞)2 entries | 14.52 | - | DFT · OptB88vdW | ||
| ↳ | 13.08 | - | DFT · TBmBJ | ||
Magnetic Moment(μB) | 0.000 | µB | DFT · OptB88vdW | ||
Piezoelectric Modulus(eij) | 0.07514 | C/m² | DFT · OptB88vdW | ||
Thermoelectric Power Factor(PF)2 entries | 0.000202 | W/(m·K²) | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 0.000526 | W/(m·K²) | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Seebeck Coefficient(S)2 entries | -402.6 | μV/K | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 161.6 | μV/K | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Spectroscopic Limited Maximum Efficiency (SLME)(SLME) | 25.81 | % | DFT · TBmBJ |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Energy Above Hull(ΔEhull) | 0.08850 | eV/atom | DFT · OptB88vdW | ||
Formation Energy(ΔHf) | -0.7520 | 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