TeMoSe

TeMoSe is a metastable semiconducting material containing molybdenum, selenium, and tellurium.

MoSeTe
Crystal structure of TeMoSe (trigonal, P-3m1 (No. 164))
Ground-state structure · Materials Project
Overview

About TeMoSe

TeMoSe is a complex ternary compound composed of molybdenum, selenium, and tellurium. As a semiconducting material, it exhibits electronic behavior that makes it a subject of interest for researchers investigating advanced optoelectronic and thin-film technologies.

This material is classified as metastable, indicating that its structural configuration exists in a state that requires specific synthesis conditions to maintain. Its existence across multiple databases reflects its significance in ongoing materials discovery efforts focused on transition metal chalcogenides.

At a glance

Key Properties

Cross-validated computational properties for TeMoSe, aggregated across 3 databases.

Band Gap

0.04–0.79 eV
Range across DFT structures

Energy Above Hull

0.028 eV/atom
Best (lowest) across sources

Stability

Metastable
2 DFT sources

Structures

32
3 databases, 5 space groups
Crystallography

Reported Structures

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

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
P-3m1 (No. 164)trigonal0.790.0279-22.4346.89
P3m1 (No. 156)trigonal0.640.0281-22.4345.02
P-3m1 (No. 164)trigonal0.620.0283-22.4345.02
P-3m1 (No. 164)trigonal0.040.0287-22.4345.02
P3m1 (No. 156)trigonal0.640.0289-22.4335.02
P3m1 (No. 156)trigonal0.470.0289-22.4334.03
P-3m1 (No. 164)Trigonal7.05
P3m1 (No. 156)Trigonal5.02
P3m1 (No. 156)
P-3m1 (No. 164)
P-3m1 (No. 164)
P-6m2 (No. 187)
Uses

Applications

Where TeMoSe is used.

Semiconductor researchOptoelectronic device developmentThin-film materials science
Reference

Frequently Asked Questions

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

What is TeMoSe?

TeMoSe is a metastable semiconducting material containing molybdenum, selenium, and tellurium.

More questions
What is TeMoSe used for?
TeMoSe is used in semiconductor research, optoelectronic device development, and thin-film materials science.
What is the band gap of TeMoSe?
TeMoSe has a DFT-computed band gap of 0.04–0.79 eV across 32 reported structures.
Is TeMoSe a metal, semiconductor, or insulator?
With a band gap up to 0.79 eV it is a semiconductor.
Is TeMoSe thermodynamically stable?
TeMoSe has a lowest energy above hull of 0.028 eV/atom (metastable).
What is the crystal structure of TeMoSe?
The lowest-energy reported polymorph of TeMoSe is trigonal symmetry, space group P-3m1 (No. 164).
What is the density of TeMoSe?
The computed density of the ground-state structure of TeMoSe is 6.89 g/cm³.
How many polymorphs of TeMoSe are known?
32 structures of TeMoSe are reported across 3 databases, spanning 5 distinct space groups.
What elements does TeMoSe contain?
TeMoSe contains Mo, Se, and Te (3 elements).
Where does the data for TeMoSe come from?
TeMoSe data is cross-referenced from materials_project, mpaloe, jarvis.
Comparison

How It Compares

As a unique ternary phase, TeMoSe represents a specialized addition to the broader family of transition metal chalcogenides, offering a distinct elemental combination that differentiates it from binary molybdenum selenides or tellurides.

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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