Te6Mo3WSe2
Te6Mo3WSe2 is a metastable, semiconducting compound composed of molybdenum, tungsten, selenium, and tellurium.
About Te6Mo3WSe2
Te6Mo3WSe2 is a complex multielemental chalcogenide that incorporates both molybdenum and tungsten within its lattice. As a semiconducting material, it represents a unique intersection of transition metal chemistry and chalcogen-based structural frameworks.
Despite its metastable nature, this compound has garnered significant research interest, evidenced by its presence across multiple structural databases. Its electronic properties make it a compelling subject for researchers investigating the design of novel semiconducting materials for next-generation technology.
Key Properties
Cross-validated computational properties for Te6Mo3WSe2, 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 Te6Mo3WSe2. 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 Te6Mo3WSe2, 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 | 0.25 | 0.0466 | -26.227 | 5.52 |
| P3m1 (No. 156) | trigonal | 0.36 | 0.0468 | -26.227 | 5.53 |
| P3m1 (No. 156) | trigonal | 0.01 | 0.0494 | -26.225 | 5.76 |
| P3m1 (No. 156) | trigonal | 0.01 | 0.0652 | -26.209 | 5.52 |
| P3m1 (No. 156) | trigonal | 0.01 | 0.0653 | -26.209 | 5.52 |
| P3m1 (No. 156) | trigonal | 0.01 | 0.0654 | -26.209 | 5.52 |
| P3m1 (No. 156) | trigonal | 0.27 | 0.0655 | -26.208 | 5.53 |
| P3m1 (No. 156) | trigonal | 0.35 | 0.0656 | -26.208 | 5.52 |
| P3m1 (No. 156) | trigonal | 0.45 | 0.0796 | -0.271 | — |
| P3m1 (No. 156) | trigonal | 0.29 | 0.0965 | -0.254 | — |
| P3m1 (No. 156) | trigonal | 0.28 | 0.0966 | -0.254 | — |
| P3m1 (No. 156) | trigonal | 0.26 | 0.1041 | -0.247 | — |
Applications
Where Te6Mo3WSe2 is used.
Frequently Asked Questions
Common questions about Te6Mo3WSe2, answered from cross-validated data.
What is Te6Mo3WSe2?
Te6Mo3WSe2 is a metastable, semiconducting compound composed of molybdenum, tungsten, selenium, and tellurium.
What is Te6Mo3WSe2 used for?
What is the band gap of Te6Mo3WSe2?
Is Te6Mo3WSe2 a metal, semiconductor, or insulator?
Is Te6Mo3WSe2 thermodynamically stable?
What is the crystal structure of Te6Mo3WSe2?
What is the density of Te6Mo3WSe2?
How many polymorphs of Te6Mo3WSe2 are known?
What elements does Te6Mo3WSe2 contain?
Where does the data for Te6Mo3WSe2 come from?
How It Compares
As a unique multimetallic chalcogenide, Te6Mo3WSe2 occupies a specialized niche within the broader landscape of transition metal semiconductors, serving as a distinct example of how alloying molybdenum and tungsten can influence structural stability and electronic behavior.
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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