TlBr2

TlBr2 is a thermodynamically stable, semiconducting inorganic compound formed from thallium and bromine.

BrTl
Crystal structure of TlBr2
Ground-state structure · Materials Project
Overview

About TlBr2

TlBr2 is a distinct semiconducting compound composed of thallium and bromine. As a thermodynamically stable material situated on the convex hull, it maintains a robust structural integrity that makes it a subject of significant interest for fundamental research in inorganic chemistry. The compound exhibits a rich structural landscape, supported by a substantial number of reported configurations across major databases. Its electronic character suggests potential utility in specialized optoelectronic or sensing applications where stable, semiconducting inorganic frameworks are required. By providing a reliable structural baseline, it serves as a key reference point for understanding the behavior of thallium-based halides.

At a glance

Key Properties

Cross-validated computational properties for TlBr2, aggregated across 2 databases.

Band Gap

1.79 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
1 DFT source

Structures

85
2 databases, 16 space groups
Uses

Applications

Where TlBr2 is used.

Fundamental materials researchSemiconductor device developmentOptoelectronic component prototyping
Reference

Frequently Asked Questions

Common questions about TlBr2, answered from cross-validated data.

What is TlBr2?

TlBr2 is a thermodynamically stable, semiconducting inorganic compound formed from thallium and bromine.

More questions
What is TlBr2 used for?
TlBr2 is used in fundamental materials research, semiconductor device development, and optoelectronic component prototyping.
What is the band gap of TlBr2?
TlBr2 has a DFT-computed band gap of 1.79 eV across 85 reported structures.
Is TlBr2 a metal, semiconductor, or insulator?
With a band gap up to 1.79 eV it is a semiconductor.
Is TlBr2 thermodynamically stable?
Yes — TlBr2 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
How many polymorphs of TlBr2 are known?
85 structures of TlBr2 are reported across 2 databases, spanning 16 distinct space groups.
What elements does TlBr2 contain?
TlBr2 contains Br and Tl (2 elements).
Where does the data for TlBr2 come from?
TlBr2 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a standalone entry in this context, TlBr2 represents a unique structural archetype within the broader family of thallium halides. Its position on the convex hull distinguishes it as a particularly stable configuration, providing a benchmark for exploring the electronic and physical properties of related binary halide systems.

Data sources & attribution
  • latticegraph — Lattice Graph Materials Intelligence Platform

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