TeMoWSe3

TeMoWSe3 is a semiconducting quaternary chalcogenide compound containing molybdenum, tungsten, selenium, and tellurium.

MoSeTeW
Crystal structure of TeMoWSe3 (trigonal, P3m1 (No. 156))
Ground-state structure · Materials Project
Overview

About TeMoWSe3

TeMoWSe3 is a complex quaternary chalcogenide composed of molybdenum, tungsten, selenium, and tellurium. As a semiconducting material, it represents a synthetic challenge in the development of multi-element transition metal dichalcogenide derivatives. Its electronic character suggests potential utility in optoelectronic or sensing applications where band structure engineering is critical.

Due to its position above the thermodynamic hull, this compound is considered metastable, requiring precise synthesis conditions to stabilize its structure. The existence of multiple reported structural configurations indicates a rich landscape for phase exploration, making it a subject of interest for computational materials design and high-throughput synthesis studies.

At a glance

Key Properties

Cross-validated computational properties for TeMoWSe3, aggregated across 2 databases.

Band Gap

0.50–0.59 eV
Range across DFT structures

Energy Above Hull

0.108 eV/atom
Best (lowest) across sources

Stability

Above hull
1 DFT source

Structures

21
2 databases, 1 space group
Crystallography

Reported Structures

Lowest-energy structures reported for TeMoWSe3, ranked by energy above hull.

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
P3m1 (No. 156)trigonal0.580.1084-24.7565.63
P3m1 (No. 156)trigonal0.530.1086-24.7565.63
P3m1 (No. 156)trigonal0.590.1086-24.7565.62
P3m1 (No. 156)trigonal0.570.1086-24.7565.63
P3m1 (No. 156)trigonal0.520.1087-24.7565.61
P3m1 (No. 156)trigonal0.000.1088-24.7565.62
P3m1 (No. 156)trigonal0.500.1990-24.6665.60
P3m1 (No. 156)trigonal0.520.1990-24.6665.61
P3m1 (No. 156)trigonal0.540.1991-24.6665.61
P3m1 (No. 156)trigonal0.000.1992-24.6665.61
P3m1 (No. 156)trigonal0.540.1992-24.6665.61
P3m1 (No. 156)trigonal0.530.1993-24.6655.61
Uses

Applications

Where TeMoWSe3 is used.

Semiconductor researchOptoelectronic material developmentMaterials science phase exploration
Reference

Frequently Asked Questions

Common questions about TeMoWSe3, answered from cross-validated data.

What is TeMoWSe3?

TeMoWSe3 is a semiconducting quaternary chalcogenide compound containing molybdenum, tungsten, selenium, and tellurium.

More questions
What is TeMoWSe3 used for?
TeMoWSe3 is used in semiconductor research, optoelectronic material development, and materials science phase exploration.
What is the band gap of TeMoWSe3?
TeMoWSe3 has a DFT-computed band gap of 0.50–0.59 eV across 21 reported structures.
Is TeMoWSe3 a metal, semiconductor, or insulator?
With a band gap up to 0.59 eV it is a semiconductor.
Is TeMoWSe3 thermodynamically stable?
TeMoWSe3 has a lowest energy above hull of 0.108 eV/atom (above hull).
What is the crystal structure of TeMoWSe3?
The lowest-energy reported polymorph of TeMoWSe3 is trigonal symmetry, space group P3m1 (No. 156).
What is the density of TeMoWSe3?
The computed density of the ground-state structure of TeMoWSe3 is 5.63 g/cm³.
How many polymorphs of TeMoWSe3 are known?
21 structures of TeMoWSe3 are reported across 2 databases, spanning 1 distinct space group.
What elements does TeMoWSe3 contain?
TeMoWSe3 contains Mo, Se, Te, and W (4 elements).
Where does the data for TeMoWSe3 come from?
TeMoWSe3 data is cross-referenced from materials_project, jarvis.
Comparison

How It Compares

As a quaternary chalcogenide, TeMoWSe3 occupies a unique niche in materials science, representing a more complex structural architecture than standard binary or ternary transition metal dichalcogenides. Its synthesis and stability profile highlight the complexities inherent in balancing multiple chalcogen and metal species within a single lattice.

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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