Te4MoW
Te4MoW is a semiconducting ternary telluride containing molybdenum and tungsten that is considered likely to be synthesizable in a laboratory setting.
About Te4MoW
Te4MoW is a complex telluride compound composed of molybdenum, tungsten, and tellurium. Its electronic character as a semiconductor makes it a subject of interest for researchers exploring new functional materials with tunable optoelectronic properties.
As a near-hull stable phase, this material is considered a viable candidate for experimental synthesis. The existence of multiple structural reports in databases highlights its potential as a stable building block for future material design in the semiconductor sector.
Key Properties
Cross-validated computational properties for Te4MoW, 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 Te4MoW. 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 Te4MoW, 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 | 0.53 | 0.0127 | -30.051 | 5.97 |
| P3m1 (No. 156) | trigonal | 0.57 | 0.0127 | -30.051 | 5.96 |
| P3m1 (No. 156) | trigonal | 0.54 | 0.0127 | -30.051 | 5.96 |
| P-3m1 (No. 164) | trigonal | 0.59 | 0.0127 | -30.051 | 5.96 |
| P3m1 (No. 156) | trigonal | 0.94 | 0.0276 | -30.036 | 4.91 |
| P-6m2 (No. 187) | hexagonal | 0.94 | 0.0783 | -0.135 | — |
| P3m1 (No. 156) | trigonal | 0.90 | 0.0937 | -0.119 | — |
| P-3m1 (No. 164) | trigonal | 0.89 | 0.0937 | -0.119 | — |
| P3m1 (No. 156) | trigonal | 0.87 | 0.0937 | -0.119 | — |
| P-3m1 (No. 164) | trigonal | 0.91 | 0.0938 | -0.119 | — |
| P3m1 (No. 156) | trigonal | — | — | — | 5.96 |
| P3m1 (No. 156) | trigonal | — | — | — | 5.96 |
Applications
Where Te4MoW is used.
Frequently Asked Questions
Common questions about Te4MoW, answered from cross-validated data.
What is Te4MoW?
Te4MoW is a semiconducting ternary telluride containing molybdenum and tungsten that is considered likely to be synthesizable in a laboratory setting.
What is Te4MoW used for?
What is the band gap of Te4MoW?
Is Te4MoW a metal, semiconductor, or insulator?
Is Te4MoW thermodynamically stable?
What is the crystal structure of Te4MoW?
What is the density of Te4MoW?
How many polymorphs of Te4MoW are known?
What elements does Te4MoW contain?
Where does the data for Te4MoW come from?
How It Compares
As a unique ternary telluride, Te4MoW occupies a specialized niche within the landscape of transition metal chalcogenides, serving as a distinct structural variant that bridges the properties of molybdenum and tungsten-based systems.
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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