WSeS
WSeS is a semiconducting tungsten chalcogenide alloy that is considered a promising candidate for synthesis and use in high-performance electronic devices.

About WSeS
WSeS is a semiconducting tungsten-based chalcogenide that incorporates both sulfur and selenium into its lattice. As a near-hull material, it occupies a favorable energetic position that suggests it is likely synthesizable and stable enough for experimental exploration in thin-film architectures.
This compound is primarily studied for its potential in next-generation electronics and optoelectronics. Its electronic character makes it a candidate for applications where tunable band properties are required, leveraging the combined characteristics of its constituent chalcogen elements.
Key Properties
Cross-validated computational properties for WSeS, aggregated across 3 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 WSeS. 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 WSeS, 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. |
|---|---|---|---|---|---|
| — | — | 1.87 | 0.0000 | -0.789 | — |
| — | — | 1.87 | 0.0001 | -0.789 | — |
| — | — | 1.87 | 0.0019 | -0.787 | — |
| — | — | 1.87 | 0.0020 | -0.787 | — |
| — | — | 2.07 | 0.0110 | -0.778 | — |
| P-3m1 (No. 164) | trigonal | 1.34 | 0.0111 | -25.304 | 7.96 |
| — | — | 1.88 | 0.0115 | -0.777 | — |
| — | — | 1.03 | 0.0143 | -0.775 | — |
| P3m1 (No. 156) | trigonal | 0.81 | 0.0218 | -25.293 | 4.71 |
| C2/m (No. 12) | monoclinic | 0.52 | 0.1377 | -0.706 | — |
| P3m1 (No. 156) | trigonal | 0.60 | 0.1569 | -0.687 | — |
| Cm (No. 8) | monoclinic | 0.57 | 0.1570 | -0.687 | — |
Applications
Where WSeS is used.
Frequently Asked Questions
Common questions about WSeS, answered from cross-validated data.
What is WSeS?
WSeS is a semiconducting tungsten chalcogenide alloy that is considered a promising candidate for synthesis and use in high-performance electronic devices.
What is WSeS used for?
What is the band gap of WSeS?
Is WSeS a metal, semiconductor, or insulator?
Is WSeS thermodynamically stable?
What is the crystal structure of WSeS?
What is the density of WSeS?
How many polymorphs of WSeS are known?
What elements does WSeS contain?
Where does the data for WSeS come from?
How It Compares
As a ternary alloy, WSeS serves as a bridge between pure tungsten disulfide and tungsten diselenide, allowing researchers to fine-tune material properties by adjusting the ratio of sulfur to selenium within the lattice structure.
Data sources & attribution
- oqmd — Data from the OQMD (oqmd.org). Cite: Saal et al., JOM 65, 1501 (2013); Kirklin et al., npj Comp. Mater. 1, 15010 (2015). (CC-BY-4.0)
- 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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