Te2Mo

molybdenum ditelluride · MoTe2

Molybdenum ditelluride is a stable, semiconducting transition-metal dichalcogenide used primarily in electronic and optoelectronic research.

Crystal structure of Te2Mo (hexagonal, P63/mmc (No. 194))
Ground-state structure · Materials Project
Overview

About molybdenum ditelluride

Molybdenum ditelluride is a prominent member of the transition-metal dichalcogenide family, characterized by its reliable semiconducting electronic behavior. As a thermodynamically stable material residing on the convex hull, it offers a robust structural foundation for thin-film research and device integration.

This compound is highly valued in materials science for its tunable electronic properties and structural versatility. Its stability and well-defined behavior make it a focal point for researchers developing high-performance electronic components and light-sensing technologies.

At a glance

Key Properties

Cross-validated computational properties for molybdenum ditelluride, aggregated across 4 databases.

Band Gap

0.62–1.16 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

105
4 databases, 19 space groups
Crystallography

Reported Structures

Lowest-energy structures reported for Te2Mo, ranked by energy above hull.

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
P63/mmc (No. 194)hexagonal0.860.0000-25.9437.23
P-3m1 (No. 164)trigonal1.160.0059-25.9375.45
P-6m2 (No. 187)hexagonal0.620.0077-25.9355.04
P-3m1 (No. 164)trigonal1.050.0114-25.9314.28
P21/m (No. 11)monoclinic0.000.0139-25.9297.08
P-6m2 (No. 187)hexagonal1.070.0216-25.9213.03
P21/m (No. 11)monoclinic0.000.0330-25.9101.46
P63/mmc (No. 194)
Pmmn (No. 59)Orthorhombic6.87
C2/m (No. 12)Monoclinic10.12
P-6m2 (No. 187)
P21/m (No. 11)Monoclinic6.76
Uses

Applications

Where molybdenum ditelluride is used.

field-effect transistorsoptoelectronic devicesphotodetectorsthin-film electronics
Reference

Frequently Asked Questions

Common questions about molybdenum ditelluride, answered from cross-validated data.

What is Te2Mo?

Molybdenum ditelluride is a stable, semiconducting transition-metal dichalcogenide used primarily in electronic and optoelectronic research.

More questions
What is Te2Mo used for?
molybdenum ditelluride (Te2Mo) is used in field-effect transistors, optoelectronic devices, photodetectors, and thin-film electronics.
What is the band gap of Te2Mo?
molybdenum ditelluride (Te2Mo) has a DFT-computed band gap of 0.62–1.16 eV across 105 reported structures.
Is Te2Mo a metal, semiconductor, or insulator?
With a band gap up to 1.16 eV it is a semiconductor.
Is Te2Mo thermodynamically stable?
Yes — molybdenum ditelluride (Te2Mo) sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of Te2Mo?
The lowest-energy reported polymorph of molybdenum ditelluride (Te2Mo) is hexagonal symmetry, space group P63/mmc (No. 194).
What is the density of Te2Mo?
The computed density of the ground-state structure of molybdenum ditelluride (Te2Mo) is 7.23 g/cm³.
How many polymorphs of Te2Mo are known?
105 structures of Te2Mo are reported across 4 databases, spanning 19 distinct space groups.
What elements does Te2Mo contain?
molybdenum ditelluride (Te2Mo) contains Mo and Te (2 elements).
Where does the data for Te2Mo come from?
Te2Mo data is cross-referenced from materials_project, jarvis, mpaloe.
Comparison

How It Compares

Within the transition-metal dichalcogenides class.

Within the diverse class of transition-metal dichalcogenides, molybdenum ditelluride serves as a critical heavy-chalcogen counterpart to more common materials like molybdenum disulfide and molybdenum diselenide, offering distinct electronic advantages for specific semiconductor applications.

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Related Compounds

Other Transition-Metal Dichalcogenides in the database.

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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