Te3MoWSe
This material is a complex transition metal chalcogenide composed of molybdenum, tungsten, selenium, and tellurium. It is primarily studied in materials science research for its potential electronic and optoelectronic properties in thin-film configurations.
MoSeTeW
Overview
Key Properties
Cross-validated computational properties for Te3MoWSe, 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.
0.02–0.77 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.
0.052 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.
Metastable
1 DFT source
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
18
2 databases, 2 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for Te3MoWSe, 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 | 0.63 | 0.0521 | -28.282 | 5.87 |
| P3m1 (No. 156) | trigonal | 0.73 | 0.0530 | -28.281 | 5.73 |
| P3m1 (No. 156) | trigonal | 0.74 | 0.0530 | -28.281 | 5.87 |
| P3m1 (No. 156) | trigonal | 0.75 | 0.0532 | -28.281 | 5.87 |
| P3m1 (No. 156) | trigonal | 0.34 | 0.0533 | -28.281 | 5.87 |
| P3m1 (No. 156) | trigonal | 0.77 | 0.0534 | -28.281 | 5.87 |
| P3m1 (No. 156) | trigonal | 0.42 | 0.0715 | -28.263 | 5.86 |
| P3m1 (No. 156) | trigonal | 0.37 | 0.0717 | -28.263 | 5.86 |
| P3m1 (No. 156) | trigonal | 0.41 | 0.0718 | -28.262 | 5.86 |
| P3m1 (No. 156) | trigonal | 0.28 | 0.0719 | -28.262 | 5.86 |
| P3m1 (No. 156) | trigonal | 0.01 | 0.0721 | -28.262 | 5.86 |
| P3m1 (No. 156) | trigonal | 0.02 | 0.0722 | -28.262 | 5.86 |
Uses
Applications
Where Te3MoWSe is used.
Semiconductor researchOptoelectronic device developmentCondensed matter physics studies
Reference
Frequently Asked Questions
Common questions about Te3MoWSe, answered from cross-validated data.
What is Te3MoWSe?
This material is a complex transition metal chalcogenide composed of molybdenum, tungsten, selenium, and tellurium. It is primarily studied in materials science research for its potential electronic and optoelectronic properties in thin-film configurations.
More questions
What is Te3MoWSe used for?
Te3MoWSe is used in semiconductor research, optoelectronic device development, and condensed matter physics studies.
What is the band gap of Te3MoWSe?
Te3MoWSe has a DFT-computed band gap of 0.02–0.77 eV across 18 reported structures.
Is Te3MoWSe a metal, semiconductor, or insulator?
With a band gap up to 0.77 eV it is a semiconductor.
Is Te3MoWSe thermodynamically stable?
Te3MoWSe has a lowest energy above hull of 0.052 eV/atom (metastable).
What is the crystal structure of Te3MoWSe?
The lowest-energy reported polymorph of Te3MoWSe is trigonal symmetry, space group P3m1 (No. 156).
What is the density of Te3MoWSe?
The computed density of the ground-state structure of Te3MoWSe is 5.87 g/cm³.
How many polymorphs of Te3MoWSe are known?
18 structures of Te3MoWSe are reported across 2 databases, spanning 2 distinct space groups.
What elements does Te3MoWSe contain?
Te3MoWSe contains Mo, Se, Te, and W (4 elements).
Where does the data for Te3MoWSe come from?
Te3MoWSe data is cross-referenced from materials_project, jarvis.
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).
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