Au2Cl8Tl2

Au2Cl8Tl2 is a thermodynamically stable, semiconducting inorganic compound composed of gold, chlorine, and thallium.

AuClTl
Crystal structure of Au2Cl8Tl2
Ground-state structure · Materials Project
Overview

About Au2Cl8Tl2

Au2Cl8Tl2 is a distinct inorganic compound characterized by its semiconducting electronic nature. As a thermodynamically stable phase residing on the convex hull, it represents a robust configuration of gold, chlorine, and thallium atoms that maintains structural integrity under standard conditions. The material is recognized for its structural diversity, supported by multiple reported entries across major crystallographic databases. Its unique composition makes it a subject of interest for researchers investigating complex halide-based systems and their potential for specialized electronic applications.

At a glance

Key Properties

Cross-validated computational properties for Au2Cl8Tl2, aggregated across 3 databases.

Band Gap

1.76 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

4
3 databases, 1 space group
Uses

Applications

Where Au2Cl8Tl2 is used.

Materials science researchSolid-state chemistry studiesSemiconductor development
Reference

Frequently Asked Questions

Common questions about Au2Cl8Tl2, answered from cross-validated data.

What is Au2Cl8Tl2?

Au2Cl8Tl2 is a thermodynamically stable, semiconducting inorganic compound composed of gold, chlorine, and thallium.

More questions
What is Au2Cl8Tl2 used for?
Au2Cl8Tl2 is used in materials science research, solid-state chemistry studies, and semiconductor development.
What is the band gap of Au2Cl8Tl2?
Au2Cl8Tl2 has a DFT-computed band gap of 1.76 eV across 4 reported structures.
Is Au2Cl8Tl2 a metal, semiconductor, or insulator?
With a band gap up to 1.76 eV it is a semiconductor.
Is Au2Cl8Tl2 thermodynamically stable?
Yes — Au2Cl8Tl2 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
How many polymorphs of Au2Cl8Tl2 are known?
4 structures of Au2Cl8Tl2 are reported across 3 databases, spanning 1 distinct space group.
What elements does Au2Cl8Tl2 contain?
Au2Cl8Tl2 contains Au, Cl, and Tl (3 elements).
Where does the data for Au2Cl8Tl2 come from?
Au2Cl8Tl2 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a unique inorganic system, Au2Cl8Tl2 occupies a specialized niche in materials research. Without direct siblings in this specific class, it serves as a foundational reference point for understanding the interplay between heavy metal cations and halide coordination in stable, semiconducting architectures.

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

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