MoWSe4
MoWSe4 is a semiconducting molybdenum tungsten selenide compound that shows potential for synthesis and application in electronic materials.
About MoWSe4
MoWSe4 is a complex chalcogenide material composed of molybdenum, tungsten, and selenium. As a semiconducting compound, it occupies a unique position in materials research, offering a distinct electronic profile that bridges the properties of its constituent transition metal dichalcogenides. Its near-hull thermodynamic stability suggests that it is a viable candidate for synthesis and experimental characterization.
This material is of significant interest to researchers investigating novel semiconductor architectures. By leveraging the interplay between molybdenum and tungsten within the selenium lattice, MoWSe4 serves as a promising platform for exploring tunable electronic behaviors, which are essential for the development of next-generation optoelectronic and sensing technologies.
Key Properties
Cross-validated computational properties for MoWSe4, aggregated across 2 databases.
Band GapEnergy needed to move an electron from the valence band to the conduction band. Lower or zero values tend to behave more metallic; larger gaps are more insulating or semiconducting.
Energy Above HullThermodynamic distance from the most stable set of competing phases. 0 eV/atom is on the convex hull; small positive values may still be experimentally accessible.
StabilityA plain-language summary of the best reported energy-above-hull result. It reflects whether the lowest-energy structure is on, near, or far from the stability hull.
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
Cross-Source DFT Agreement
How well independent DFT databases agree on the thermodynamics of MoWSe4. Tight agreement means computed properties can be trusted without re-running calculations.
Agreement ScoreA normalized confidence score summarizing how closely independent DFT databases agree. Higher scores mean tighter cross-source agreement.
Hull SpreadDifference between the highest and lowest energy-above-hull values reported by comparable sources. Smaller spread means less thermodynamic disagreement.
Sources ComparedNumber and names of computational sources with comparable entries for this formula.
Space Group ConsensusWhether independent sources predict the same crystal symmetry for the lowest-energy structure.
Reported Structures
Lowest-energy structures reported for MoWSe4, ranked by energy above hull.
| Space GroupSymmetry classification of the crystal arrangement. The number is the international space-group index. | Crystal SystemBroad lattice family, such as cubic, tetragonal, monoclinic, or triclinic, derived from unit-cell symmetry. | Band Gap (eV)Electronic gap calculated for this specific reported structure, measured in electronvolts. | E above hull (eV/atom)Thermodynamic distance from the convex hull for this structure, normalized per atom. Lower is generally more stable. | E/atom (eV)Computed total energy normalized per atom. Use energy above hull, not this value alone, when comparing stability. | Density (g/cm³)Mass per relaxed crystal volume, reported in grams per cubic centimeter. |
|---|---|---|---|---|---|
| P3m1 (No. 156) | trigonal | 1.28 | 0.0081 | -23.116 | 4.55 |
| P-3m1 (No. 164) | trigonal | 1.04 | 0.0449 | -0.588 | — |
| P3m1 (No. 156) | trigonal | 1.05 | 0.0450 | -0.588 | — |
| P3m1 (No. 156) | trigonal | 1.00 | 0.0450 | -0.588 | — |
| P-3m1 (No. 164) | trigonal | 1.07 | 0.0452 | -0.588 | — |
| P3m1 (No. 156) | trigonal | 1.16 | 0.0652 | -0.568 | — |
| P-6m2 (No. 187) | hexagonal | 1.20 | 0.1249 | -23.000 | 7.20 |
| P-3m1 (No. 164) | trigonal | 0.94 | 0.1252 | -22.999 | 5.47 |
| P3m1 (No. 156) | trigonal | 0.94 | 0.1252 | -22.999 | 5.47 |
| P3m1 (No. 156) | trigonal | 1.23 | 0.1252 | -22.999 | 5.47 |
| P-3m1 (No. 164) | trigonal | 1.02 | 0.1253 | -22.999 | 5.47 |
| P3m1 (No. 156) | trigonal | — | — | — | 4.57 |
Applications
Where MoWSe4 is used.
Frequently Asked Questions
Common questions about MoWSe4, answered from cross-validated data.
What is MoWSe4?
MoWSe4 is a semiconducting molybdenum tungsten selenide compound that shows potential for synthesis and application in electronic materials.
What is MoWSe4 used for?
What is the band gap of MoWSe4?
Is MoWSe4 a metal, semiconductor, or insulator?
Is MoWSe4 thermodynamically stable?
What is the crystal structure of MoWSe4?
What is the density of MoWSe4?
How many polymorphs of MoWSe4 are known?
What elements does MoWSe4 contain?
Where does the data for MoWSe4 come from?
How It Compares
As a unique mixed-metal chalcogenide, MoWSe4 represents an intriguing hybrid system that integrates the electronic characteristics of both molybdenum and tungsten-based selenides into a single crystalline framework.
Data sources & attribution
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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