Te8MoW3
This compound is a complex metallic telluride containing molybdenum and tungsten. It is primarily studied in materials science research for its structural properties and potential behavior in specialized electronic or catalytic applications.
MoTeW
Overview
Key Properties
Cross-validated computational properties for Te8MoW3, 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.
1.12 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.
0.019 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, 1 space group
Crystallography
Reported Structures
Lowest-energy structures reported for Te8MoW3, 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. |
|---|---|---|---|---|---|
| P3m1 (No. 156) | trigonal | 1.12 | 0.0190 | -32.105 | 6.31 |
| P3m1 (No. 156) | trigonal | 1.08 | 0.0301 | -32.094 | 6.43 |
| P3m1 (No. 156) | — | — | — | — | — |
| P3m1 (No. 156) | — | — | — | — | — |
| P3m1 (No. 156) | Trigonal | — | — | — | 6.29 |
| P3m1 (No. 156) | Trigonal | — | — | — | 6.49 |
| P3m1 (No. 156) | Trigonal | — | — | — | 6.36 |
| P3m1 (No. 156) | Trigonal | — | — | — | 6.31 |
| P3m1 (No. 156) | Trigonal | — | — | — | 6.47 |
| P3m1 (No. 156) | Trigonal | — | — | — | 6.37 |
Uses
Applications
Where Te8MoW3 is used.
Materials science researchSolid-state chemistry studiesFundamental electronic property investigation
Reference
Frequently Asked Questions
Common questions about Te8MoW3, answered from cross-validated data.
What is Te8MoW3?
This compound is a complex metallic telluride containing molybdenum and tungsten. It is primarily studied in materials science research for its structural properties and potential behavior in specialized electronic or catalytic applications.
More questions
What is Te8MoW3 used for?
Te8MoW3 is used in materials science research, solid-state chemistry studies, and fundamental electronic property investigation.
What is the band gap of Te8MoW3?
Te8MoW3 has a DFT-computed band gap of 1.12 eV across 10 reported structures.
Is Te8MoW3 a metal, semiconductor, or insulator?
With a band gap up to 1.12 eV it is a semiconductor.
Is Te8MoW3 thermodynamically stable?
Te8MoW3 has a lowest energy above hull of 0.019 eV/atom (near hull (likely stable)).
What is the crystal structure of Te8MoW3?
The lowest-energy reported polymorph of Te8MoW3 is trigonal symmetry, space group P3m1 (No. 156).
What is the density of Te8MoW3?
The computed density of the ground-state structure of Te8MoW3 is 6.31 g/cm³.
How many polymorphs of Te8MoW3 are known?
10 structures of Te8MoW3 are reported across 3 databases, spanning 1 distinct space group.
What elements does Te8MoW3 contain?
Te8MoW3 contains Mo, Te, and W (3 elements).
Where does the data for Te8MoW3 come from?
Te8MoW3 data is cross-referenced from materials_project, jarvis, mpaloe.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
- mpaloe — Data from mpaloe.
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