Te4MoW
This compound is a transition metal dichalcogenide alloy consisting of molybdenum, tungsten, and tellurium. It is primarily utilized in advanced materials research for its potential electronic and optoelectronic properties in layered form.
MoTeW
Overview
Key Properties
Cross-validated computational properties for Te4MoW, 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.
0.57–1.09 eV
Range across DFT structures
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.
0.013 eV/atom
Best (lowest) across sources
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.
Near hull (likely stable)
2 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
22
3 databases, 3 space groups
Crystallography
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 | 1.09 | 0.0127 | -30.051 | 5.97 |
| P3m1 (No. 156) | trigonal | 0.57 | 0.0127 | -30.051 | 5.96 |
| P3m1 (No. 156) | trigonal | 1.01 | 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 |
| P3m1 (No. 156) | Trigonal | — | — | — | 4.84 |
| P3m1 (No. 156) | Trigonal | — | — | — | 5.96 |
| P3m1 (No. 156) | Trigonal | — | — | — | 4.91 |
| P3m1 (No. 156) | Trigonal | — | — | — | 6.03 |
| P3m1 (No. 156) | Trigonal | — | — | — | 5.96 |
| P-3m1 (No. 164) | — | — | — | — | — |
| P-6m2 (No. 187) | — | — | — | — | — |
Uses
Applications
Where Te4MoW is used.
Semiconductor researchOptoelectronic device developmentCondensed matter physics studies
Reference
Frequently Asked Questions
Common questions about Te4MoW, answered from cross-validated data.
What is Te4MoW?
This compound is a transition metal dichalcogenide alloy consisting of molybdenum, tungsten, and tellurium. It is primarily utilized in advanced materials research for its potential electronic and optoelectronic properties in layered form.
More questions
What is Te4MoW used for?
Te4MoW is used in semiconductor research, optoelectronic device development, and condensed matter physics studies.
What is the band gap of Te4MoW?
Te4MoW has a DFT-computed band gap of 0.57–1.09 eV across 22 reported structures.
Is Te4MoW a metal, semiconductor, or insulator?
With a band gap up to 1.09 eV it is a semiconductor.
Is Te4MoW thermodynamically stable?
Te4MoW has a lowest energy above hull of 0.013 eV/atom (near hull (likely stable)).
What is the crystal structure of Te4MoW?
The lowest-energy reported polymorph of Te4MoW is trigonal symmetry, space group P-3m1 (No. 164).
What is the density of Te4MoW?
The computed density of the ground-state structure of Te4MoW is 5.97 g/cm³.
How many polymorphs of Te4MoW are known?
22 structures of Te4MoW are reported across 3 databases, spanning 3 distinct space groups.
What elements does Te4MoW contain?
Te4MoW contains Mo, Te, and W (3 elements).
Where does the data for Te4MoW come from?
Te4MoW data is cross-referenced from materials_project, mpaloe, jarvis.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
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