Te6MoW2
This compound is a complex metal telluride composed of molybdenum, tungsten, and tellurium. It belongs to a class of materials often investigated for their unique electronic and structural properties in solid-state chemistry.
MoTeW
Overview
Key Properties
Cross-validated computational properties for Te6MoW2, 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.
0.62 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.
0.017 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.
10
3 databases, 3 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for Te6MoW2, 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-6m2 (No. 187) | hexagonal | 0.60 | 0.0172 | -31.420 | 5.71 |
| P3m1 (No. 156) | trigonal | 0.62 | 0.0173 | -31.420 | 5.73 |
| P-6m2 (No. 187) | Hexagonal | — | — | — | 5.71 |
| P-6m2 (No. 187) | Hexagonal | — | — | — | 5.88 |
| P-6m2 (No. 187) | — | — | — | — | — |
| P3m1 (No. 156) | Trigonal | — | — | — | 5.73 |
| P-6m2 (No. 187) | Hexagonal | — | — | — | 5.77 |
| R3m (No. 160) | — | — | — | — | — |
| P3m1 (No. 156) | Trigonal | — | — | — | 5.87 |
| P3m1 (No. 156) | Trigonal | — | — | — | 5.78 |
Uses
Applications
Where Te6MoW2 is used.
Materials science researchSolid-state physics studiesSemiconductor development
Reference
Frequently Asked Questions
Common questions about Te6MoW2, answered from cross-validated data.
What is Te6MoW2?
This compound is a complex metal telluride composed of molybdenum, tungsten, and tellurium. It belongs to a class of materials often investigated for their unique electronic and structural properties in solid-state chemistry.
More questions
What is Te6MoW2 used for?
Te6MoW2 is used in materials science research, solid-state physics studies, and semiconductor development.
What is the band gap of Te6MoW2?
Te6MoW2 has a DFT-computed band gap of 0.62 eV across 10 reported structures.
Is Te6MoW2 a metal, semiconductor, or insulator?
With a band gap up to 0.62 eV it is a semiconductor.
Is Te6MoW2 thermodynamically stable?
Te6MoW2 has a lowest energy above hull of 0.017 eV/atom (near hull (likely stable)).
What is the crystal structure of Te6MoW2?
The lowest-energy reported polymorph of Te6MoW2 is hexagonal symmetry, space group P-6m2 (No. 187).
What is the density of Te6MoW2?
The computed density of the ground-state structure of Te6MoW2 is 5.71 g/cm³.
How many polymorphs of Te6MoW2 are known?
10 structures of Te6MoW2 are reported across 3 databases, spanning 3 distinct space groups.
What elements does Te6MoW2 contain?
Te6MoW2 contains Mo, Te, and W (3 elements).
Where does the data for Te6MoW2 come from?
Te6MoW2 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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