TlI

Thallium(I) iodide · Thallous iodide

Thallium(I) iodide is a stable semiconducting inorganic compound frequently utilized in specialized radiation detection and optical technologies.

ITl
Crystal structure of TlI
Ground-state structure · Materials Project
Overview

About Thallium(I) iodide

Thallium(I) iodide is a thermodynamically stable compound that exists as a semiconducting material. Its structural versatility is evidenced by the extensive number of reported phases found in materials databases, highlighting its complex behavior under varying conditions. This compound is primarily valued for its electronic properties, which make it a candidate for specialized applications in high-energy physics and optics. Its stability on the convex hull ensures it remains a reliable subject for fundamental research into thallium-based semiconductors.

At a glance

Key Properties

Cross-validated computational properties for Thallium(I) iodide, aggregated across 4 databases.

Band Gap

1.81–2.21 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

57
4 databases, 13 space groups
Synthesis

Synthesis Routes

Literature-extracted synthesis procedures targeting TlI.

Solid State
Procedure available · ceder_solid_state
Uses

Applications

Where Thallium(I) iodide is used.

Scintillation detectorsOptical materialsRadiation detection
Reference

Frequently Asked Questions

Common questions about Thallium(I) iodide, answered from cross-validated data.

What is TlI?

Thallium(I) iodide is a stable semiconducting inorganic compound frequently utilized in specialized radiation detection and optical technologies.

More questions
What is TlI used for?
Thallium(I) iodide (TlI) is used in scintillation detectors, optical materials, and radiation detection.
What is the band gap of TlI?
Thallium(I) iodide (TlI) has a DFT-computed band gap of 1.81–2.21 eV across 57 reported structures.
Is TlI a metal, semiconductor, or insulator?
With a band gap up to 2.21 eV it is a semiconductor.
Is TlI thermodynamically stable?
Yes — Thallium(I) iodide (TlI) sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
How many polymorphs of TlI are known?
57 structures of TlI are reported across 4 databases, spanning 13 distinct space groups.
How is TlI synthesized?
Literature-reported routes for TlI include solid state.
What elements does TlI contain?
Thallium(I) iodide (TlI) contains I and Tl (2 elements).
Where does the data for TlI come from?
TlI data is cross-referenced from latticegraph.
Comparison

How It Compares

As a standalone member of its class in this context, thallium(I) iodide serves as a foundational example of a stable, semiconducting thallium halide. It represents a critical reference point for understanding how heavy metal cations influence the electronic and structural landscape of inorganic iodides.

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

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