Tl4O3

Tl4O3 is a thermodynamically stable semiconducting compound composed of thallium and oxygen.

OTl
Crystal structure of Tl4O3
Ground-state structure · Materials Project
Overview

About Tl4O3

Tl4O3 is a distinct thallium-based oxide that exhibits semiconducting electronic behavior. As a thermodynamically stable phase located on the convex hull, it represents a well-defined structural arrangement within the thallium-oxygen chemical space.

With numerous reported structures across multiple databases, this compound is a subject of significant interest for researchers studying the complex bonding environments of heavy metal oxides. Its stability makes it a reliable candidate for investigating the fundamental physics of thallium-rich semiconducting materials.

At a glance

Key Properties

Cross-validated computational properties for Tl4O3, aggregated across 3 databases.

Band Gap

1.10 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

14
3 databases, 4 space groups
Reference

Frequently Asked Questions

Common questions about Tl4O3, answered from cross-validated data.

What is Tl4O3?

Tl4O3 is a thermodynamically stable semiconducting compound composed of thallium and oxygen.

More questions
What is the band gap of Tl4O3?
Tl4O3 has a DFT-computed band gap of 1.10 eV across 14 reported structures.
Is Tl4O3 a metal, semiconductor, or insulator?
With a band gap up to 1.10 eV it is a semiconductor.
Is Tl4O3 thermodynamically stable?
Yes — Tl4O3 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
How many polymorphs of Tl4O3 are known?
14 structures of Tl4O3 are reported across 3 databases, spanning 4 distinct space groups.
What elements does Tl4O3 contain?
Tl4O3 contains O and Tl (2 elements).
Where does the data for Tl4O3 come from?
Tl4O3 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a unique thallium oxide, Tl4O3 serves as a primary reference point for understanding the stoichiometry and electronic properties of this specific metal-oxygen system, standing as a stable benchmark in the study of thallium-based semiconductors.

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

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