WSe2
Tungsten diselenide · Tungsten(IV) selenide
Tungsten diselenide is a stable, semiconducting transition-metal dichalcogenide used extensively in advanced electronics and optoelectronic research.
About Tungsten diselenide
WSe2 is a layered transition-metal dichalcogenide that functions as a robust semiconductor. Its structural integrity is confirmed by its position on the convex hull, making it a thermodynamically stable material of significant interest for fundamental research and industrial development. The compound is widely utilized in the exploration of thin-film electronics and light-harvesting systems. Due to its well-defined electronic character, it serves as a foundational material for investigating quantum phenomena and high-performance electronic devices.
Key Properties
Cross-validated computational properties for Tungsten diselenide, 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 WSe2. 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 WSe2, 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. |
|---|---|---|---|---|---|
| — | — | 1.83 | 0.0000 | -0.563 | — |
| P63/mmc (No. 194) | hexagonal | 1.45 | 0.0000 | -27.267 | 8.66 |
| P63/mmc (No. 194) | hexagonal | 1.05 | 0.0000 | -0.545 | — |
| P63/mmc (No. 194) | hexagonal | 1.04 | 0.0002 | -0.544 | — |
| P-3m1 (No. 164) | trigonal | 1.20 | 0.0043 | -27.263 | 6.54 |
| — | — | 0.00 | 0.0050 | -0.558 | — |
| — | — | 0.00 | 0.0053 | -0.558 | — |
| P-6m2 (No. 187) | hexagonal | 1.23 | 0.0055 | -27.262 | 6.00 |
| P-3m1 (No. 164) | trigonal | 1.52 | 0.0082 | -27.259 | 4.95 |
| — | — | 1.17 | 0.0082 | -0.555 | — |
| — | — | 1.27 | 0.0103 | -0.553 | — |
| P-6m2 (No. 187) | hexagonal | 1.54 | 0.0158 | -27.252 | 3.57 |
Applications
Where Tungsten diselenide is used.
Frequently Asked Questions
Common questions about Tungsten diselenide, answered from cross-validated data.
What is WSe2?
Tungsten diselenide is a stable, semiconducting transition-metal dichalcogenide used extensively in advanced electronics and optoelectronic research.
What is WSe2 used for?
What is the band gap of WSe2?
Is WSe2 a metal, semiconductor, or insulator?
Is WSe2 thermodynamically stable?
What is the crystal structure of WSe2?
What is the density of WSe2?
How many polymorphs of WSe2 are known?
What elements does WSe2 contain?
Where does the data for WSe2 come from?
How It Compares
Within the transition-metal dichalcogenides class.
Within the family of transition-metal dichalcogenides, WSe2 shares structural similarities with MoSe2 and MoS2, yet it is distinguished by its unique electronic response and heavy metal center. While materials like ReS2 or ReSe2 exhibit lower symmetry, WSe2 maintains a highly ordered lattice that facilitates consistent performance in semiconductor applications compared to more complex phases like Mo3S4.
Related Compounds
Other Transition-Metal Dichalcogenides in the database.
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)
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