Te2W
tungsten ditelluride · WTe2
Tungsten ditelluride is a thermodynamically stable semiconducting transition-metal dichalcogenide used in advanced electronic and materials research.
About tungsten ditelluride
Tungsten ditelluride is a prominent member of the transition-metal dichalcogenide family, characterized by its semiconducting electronic nature. As a thermodynamically stable phase residing on the convex hull, it represents a robust structural configuration that has attracted significant attention in condensed matter physics research. Its structural integrity and electronic versatility make it a compelling candidate for advanced material studies. The compound is highly data-rich, with numerous reported structures across major materials databases, reflecting its importance in the scientific community. It serves as a foundational material for exploring low-dimensional physics and potential applications in next-generation electronic and optoelectronic devices.
Key Properties
Cross-validated computational properties for tungsten ditelluride, aggregated across 5 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 Te2W. 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 Te2W, 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. |
|---|---|---|---|---|---|
| Pmn21 (No. 31) | orthorhombic | 0.00 | 0.0000 | -34.184 | 8.76 |
| P63/mmc (No. 194) | hexagonal | 0.94 | 0.0336 | -34.150 | 8.94 |
| P-3m1 (No. 164) | trigonal | 1.21 | 0.0387 | -34.145 | 6.75 |
| P-6m2 (No. 187) | hexagonal | 0.66 | 0.0406 | -34.143 | 6.23 |
| P-3m1 (No. 164) | trigonal | 1.04 | 0.0438 | -34.140 | 5.37 |
| P-6m2 (No. 187) | hexagonal | 1.08 | 0.0541 | -34.130 | 3.82 |
| P-6m2 (No. 187) | Hexagonal | — | — | — | 6.30 |
| C2 (No. 5) | Monoclinic | — | — | — | 8.49 |
| P-6m2 (No. 187) | Hexagonal | — | — | — | 6.19 |
| P1 (No. 1) | Triclinic | — | — | — | 11.31 |
| C2/m (No. 12) | Monoclinic | — | — | — | 13.85 |
| P-3m1 (No. 164) | Trigonal | — | — | — | 5.31 |
Applications
Where tungsten ditelluride is used.
Frequently Asked Questions
Common questions about tungsten ditelluride, answered from cross-validated data.
What is Te2W?
Tungsten ditelluride is a thermodynamically stable semiconducting transition-metal dichalcogenide used in advanced electronic and materials research.
What is Te2W used for?
What is the band gap of Te2W?
Is Te2W a metal, semiconductor, or insulator?
Is Te2W thermodynamically stable?
What is the crystal structure of Te2W?
What is the density of Te2W?
How many polymorphs of Te2W are known?
What elements does Te2W contain?
Where does the data for Te2W come from?
How It Compares
Within the transition-metal dichalcogenides class.
Within the diverse class of transition-metal dichalcogenides, Te2W stands out for its distinct electronic behavior compared to more common members like MoS2 and MoSe2. While many of its siblings are widely utilized for their light-matter interactions, Te2W is particularly noted for its unique topological properties and structural stability, positioning it as a specialized alternative to the more conventional sulfide and selenide counterparts.
Related Compounds
Other Transition-Metal Dichalcogenides in the database.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
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