TlI3

TlI3 is a thermodynamically stable semiconducting compound formed from thallium and iodine.

ITl
Crystal structure of TlI3
Ground-state structure · Materials Project
Overview

About TlI3

TlI3 is a distinct inorganic compound composed of thallium and iodine. As a thermodynamically stable phase residing on the convex hull, it represents a robust configuration within the iodide family, offering a reliable structural foundation for study.

This material exhibits semiconducting electronic character, making it a subject of interest for researchers investigating the interplay between heavy metal cations and halide frameworks. Its presence in multiple structural databases highlights its significance as a well-documented subject in solid-state chemistry.

At a glance

Key Properties

Cross-validated computational properties for TlI3, aggregated across 3 databases.

Band Gap

1.70 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

51
3 databases, 15 space groups
Synthesis

Synthesis Routes

Literature-extracted synthesis procedures targeting TlI3.

Solid State
Procedure available · ceder_solid_state
Uses

Applications

Where TlI3 is used.

Solid-state researchMaterials science explorationFundamental electronic studies
Reference

Frequently Asked Questions

Common questions about TlI3, answered from cross-validated data.

What is TlI3?

TlI3 is a thermodynamically stable semiconducting compound formed from thallium and iodine.

More questions
What is TlI3 used for?
TlI3 is used in solid-state research, materials science exploration, and fundamental electronic studies.
What is the band gap of TlI3?
TlI3 has a DFT-computed band gap of 1.70 eV across 51 reported structures.
Is TlI3 a metal, semiconductor, or insulator?
With a band gap up to 1.70 eV it is a semiconductor.
Is TlI3 thermodynamically stable?
Yes — TlI3 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
How many polymorphs of TlI3 are known?
51 structures of TlI3 are reported across 3 databases, spanning 15 distinct space groups.
How is TlI3 synthesized?
Literature-reported routes for TlI3 include solid state.
What elements does TlI3 contain?
TlI3 contains I and Tl (2 elements).
Where does the data for TlI3 come from?
TlI3 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a thermodynamically stable semiconductor, TlI3 serves as a key reference point for understanding the structural diversity and electronic behavior of thallium-based halides.

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

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