Tl2Te3

Tl2Te3 is a stable semiconducting material composed of thallium and tellurium elements.

TeTl
Crystal structure of Tl2Te3 (monoclinic, C2/c (No. 15))
Ground-state structure · Materials Project
Overview

About Tl2Te3

Tl2Te3 is a thermodynamically stable binary compound composed of thallium and tellurium. As a member of the chalcogenide family, it exhibits semiconducting electronic characteristics that make it a subject of interest in solid-state physics research.

Its position on the convex hull confirms its inherent stability, which supports diverse structural configurations. The compound is frequently studied for its potential in electronic and thermoelectric applications where precise control over semiconducting behavior is required.

At a glance

Key Properties

Cross-validated computational properties for Tl2Te3, aggregated across 3 databases.

Band Gap

0.65 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

9
3 databases, 2 space groups
Crystallography

Reported Structures

Lowest-energy structures reported for Tl2Te3, ranked by energy above hull.

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
C2/c (No. 15)monoclinic0.640.0000-3.2797.56
Cc (No. 9)monoclinic0.650.0327-3.2467.22
Cc (No. 9)Monoclinic7.12
Cc (No. 9)Monoclinic7.19
Cc (No. 9)Monoclinic7.22
C2/c (No. 15)Monoclinic7.60
C2/c (No. 15)
C2/c (No. 15)Monoclinic7.49
C2/c (No. 15)Monoclinic7.60
Uses

Applications

Where Tl2Te3 is used.

Semiconductor researchThermoelectric material studies
Reference

Frequently Asked Questions

Common questions about Tl2Te3, answered from cross-validated data.

What is Tl2Te3?

Tl2Te3 is a stable semiconducting material composed of thallium and tellurium elements.

More questions
What is Tl2Te3 used for?
Tl2Te3 is used in semiconductor research and thermoelectric material studies.
What is the band gap of Tl2Te3?
Tl2Te3 has a DFT-computed band gap of 0.65 eV across 9 reported structures.
Is Tl2Te3 a metal, semiconductor, or insulator?
With a band gap up to 0.65 eV it is a semiconductor.
Is Tl2Te3 thermodynamically stable?
Yes — Tl2Te3 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of Tl2Te3?
The lowest-energy reported polymorph of Tl2Te3 is monoclinic symmetry, space group C2/c (No. 15).
What is the density of Tl2Te3?
The computed density of the ground-state structure of Tl2Te3 is 7.56 g/cm³.
How many polymorphs of Tl2Te3 are known?
9 structures of Tl2Te3 are reported across 3 databases, spanning 2 distinct space groups.
What elements does Tl2Te3 contain?
Tl2Te3 contains Te and Tl (2 elements).
Where does the data for Tl2Te3 come from?
Tl2Te3 data is cross-referenced from materials_project, mpaloe, jarvis.
Comparison

How It Compares

As a stable binary chalcogenide, Tl2Te3 serves as a foundational example of how heavy metal-tellurium systems can maintain structural integrity while providing semiconducting properties useful for fundamental materials science studies.

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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