TlBr3

thallium(III) bromide · thallic bromide

Thallium(III) bromide is a stable, semiconducting inorganic compound used primarily in chemical synthesis and materials research.

BrTl
Crystal structure of TlBr3
Ground-state structure · Materials Project
Overview

About thallium(III) bromide

Thallium(III) bromide is a distinct inorganic compound characterized by its semiconducting electronic nature. As a thermodynamically stable phase residing on the convex hull, it represents a well-defined chemical species that has been extensively documented across multiple structural databases.

Its significance lies in its specific coordination chemistry and its utility as a precursor in specialized synthetic pathways. Researchers value this compound for its predictable stability and its role in exploring the broader behavior of thallium-based halides in solid-state systems.

At a glance

Key Properties

Cross-validated computational properties for thallium(III) bromide, aggregated across 3 databases.

Band Gap

2.04 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

77
3 databases, 18 space groups
Uses

Applications

Where thallium(III) bromide is used.

Chemical synthesisMaterials science researchPrecursor for thallium-containing materials
Reference

Frequently Asked Questions

Common questions about thallium(III) bromide, answered from cross-validated data.

What is TlBr3?

Thallium(III) bromide is a stable, semiconducting inorganic compound used primarily in chemical synthesis and materials research.

More questions
What is TlBr3 used for?
thallium(III) bromide (TlBr3) is used in chemical synthesis, materials science research, and precursor for thallium-containing materials.
What is the band gap of TlBr3?
thallium(III) bromide (TlBr3) has a DFT-computed band gap of 2.04 eV across 77 reported structures.
Is TlBr3 a metal, semiconductor, or insulator?
With a band gap up to 2.04 eV it is a semiconductor.
Is TlBr3 thermodynamically stable?
Yes — thallium(III) bromide (TlBr3) sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
How many polymorphs of TlBr3 are known?
77 structures of TlBr3 are reported across 3 databases, spanning 18 distinct space groups.
What elements does TlBr3 contain?
thallium(III) bromide (TlBr3) contains Br and Tl (2 elements).
Where does the data for TlBr3 come from?
TlBr3 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a standalone entry in this context, thallium(III) bromide serves as a primary reference point for trivalent thallium halides. Its position on the convex hull distinguishes it as a stable benchmark for studying the electronic and structural evolution of heavy metal bromides.

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

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