TeWSe
TeWSe is a metastable semiconducting ternary compound consisting of tungsten, selenium, and tellurium.
About TeWSe
TeWSe is a complex ternary compound composed of tungsten, selenium, and tellurium. As a semiconducting material, it exhibits electronic properties that make it a subject of interest for researchers exploring novel functional materials in the chalcogenide family. Its existence as a metastable phase suggests a unique structural landscape that requires precise synthesis conditions to stabilize. The material is currently documented across multiple structural databases, reflecting its status as a subject of ongoing computational and experimental exploration. Its potential utility lies in its role as a building block for specialized electronic or optoelectronic devices where specific semiconducting behaviors are required.
Key Properties
Cross-validated computational properties for TeWSe, 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 TeWSe. 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 TeWSe, 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. |
|---|---|---|---|---|---|
| P-3m1 (No. 164) | trigonal | 0.48 | 0.0000 | -0.442 | — |
| P3m1 (No. 156) | trigonal | 0.29 | 0.0430 | -30.683 | 6.46 |
| P-3m1 (No. 164) | trigonal | 0.27 | 0.0431 | -30.683 | 6.47 |
| P3m1 (No. 156) | trigonal | 0.24 | 0.0432 | -30.682 | 6.46 |
| P-3m1 (No. 164) | trigonal | 0.29 | 0.0435 | -30.682 | 6.46 |
| P3m1 (No. 156) | trigonal | 0.49 | 0.0436 | -30.682 | 5.18 |
| — | — | 0.00 | 0.0776 | -0.255 | — |
| P-3m1 (No. 164) | trigonal | 0.46 | 0.2012 | -0.241 | — |
| P3m1 (No. 156) | trigonal | 0.51 | 0.2226 | -0.220 | — |
| P3m1 (No. 156) | trigonal | — | — | — | 5.18 |
| Cm (No. 8) | monoclinic | — | — | — | 5.85 |
| Cm (No. 8) | monoclinic | — | — | — | 5.33 |
Applications
Where TeWSe is used.
Frequently Asked Questions
Common questions about TeWSe, answered from cross-validated data.
What is TeWSe?
TeWSe is a metastable semiconducting ternary compound consisting of tungsten, selenium, and tellurium.
What is TeWSe used for?
What is the band gap of TeWSe?
Is TeWSe a metal, semiconductor, or insulator?
Is TeWSe thermodynamically stable?
What is the crystal structure of TeWSe?
What is the density of TeWSe?
How many polymorphs of TeWSe are known?
What elements does TeWSe contain?
Where does the data for TeWSe come from?
How It Compares
As a ternary chalcogenide, TeWSe occupies a distinct niche in materials science, representing a complex structural arrangement that differentiates it from simpler binary tungsten chalcogenides. Its metastable nature highlights the chemical challenges in balancing the electronic contributions of both selenium and tellurium within the tungsten-based lattice.
Data sources & attribution
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
- 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)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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