Te3Mo2Se
This compound is a complex transition metal chalcogenide composed of molybdenum, tellurium, and selenium. It is primarily studied in materials science research for its potential electronic and structural properties in thin-film applications.
MoSeTe
Overview
Key Properties
Cross-validated computational properties for Te3Mo2Se, 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.
0.46–0.83 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.
0.018 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.
14
3 databases, 1 space group
Crystallography
Reported Structures
Lowest-energy structures reported for Te3Mo2Se, 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 | 0.83 | 0.0177 | -24.185 | 6.78 |
| P3m1 (No. 156) | trigonal | 0.46 | 0.0205 | -24.182 | 5.17 |
| P3m1 (No. 156) | trigonal | 0.48 | 0.0211 | -24.181 | 5.16 |
| P3m1 (No. 156) | — | — | — | — | — |
| P3m1 (No. 156) | — | — | — | — | — |
| P3m1 (No. 156) | Trigonal | — | — | — | 6.78 |
| P3m1 (No. 156) | Trigonal | — | — | — | 6.87 |
| P3m1 (No. 156) | Trigonal | — | — | — | 5.32 |
| P3m1 (No. 156) | Trigonal | — | — | — | 5.17 |
| P3m1 (No. 156) | Trigonal | — | — | — | 7.02 |
| P3m1 (No. 156) | Trigonal | — | — | — | 5.16 |
| P3m1 (No. 156) | Trigonal | — | — | — | 5.22 |
Uses
Applications
Where Te3Mo2Se is used.
Materials science researchSemiconductor development studiesThin-film deposition experiments
Reference
Frequently Asked Questions
Common questions about Te3Mo2Se, answered from cross-validated data.
What is Te3Mo2Se?
This compound is a complex transition metal chalcogenide composed of molybdenum, tellurium, and selenium. It is primarily studied in materials science research for its potential electronic and structural properties in thin-film applications.
More questions
What is Te3Mo2Se used for?
Te3Mo2Se is used in materials science research, semiconductor development studies, and thin-film deposition experiments.
What is the band gap of Te3Mo2Se?
Te3Mo2Se has a DFT-computed band gap of 0.46–0.83 eV across 14 reported structures.
Is Te3Mo2Se a metal, semiconductor, or insulator?
With a band gap up to 0.83 eV it is a semiconductor.
Is Te3Mo2Se thermodynamically stable?
Te3Mo2Se has a lowest energy above hull of 0.018 eV/atom (near hull (likely stable)).
What is the crystal structure of Te3Mo2Se?
The lowest-energy reported polymorph of Te3Mo2Se is trigonal symmetry, space group P3m1 (No. 156).
What is the density of Te3Mo2Se?
The computed density of the ground-state structure of Te3Mo2Se is 6.78 g/cm³.
How many polymorphs of Te3Mo2Se are known?
14 structures of Te3Mo2Se are reported across 3 databases, spanning 1 distinct space group.
What elements does Te3Mo2Se contain?
Te3Mo2Se contains Mo, Se, and Te (3 elements).
Where does the data for Te3Mo2Se come from?
Te3Mo2Se 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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