Au2Cl6Cs2

Au2Cl6Cs2 is a thermodynamically stable semiconducting compound containing gold, chlorine, and cesium.

AuClCs
Crystal structure of Au2Cl6Cs2
Ground-state structure · Materials Project
Overview

About Au2Cl6Cs2

Au2Cl6Cs2 is a distinct inorganic compound composed of gold, chlorine, and cesium. As a thermodynamically stable material situated on the convex hull, it represents a robust phase within its chemical system, offering a reliable structural framework for further investigation. Its electronic character as a semiconductor makes it an intriguing candidate for specialized electronic and optoelectronic research, where controlled charge transport is essential. The compound is characterized by a significant number of reported structural variations, suggesting a versatile coordination environment that can be tuned through synthesis conditions. This structural diversity is a key factor in its utility for materials science studies focused on gold-based halide architectures.

At a glance

Key Properties

Cross-validated computational properties for Au2Cl6Cs2, aggregated across 2 databases.

Band Gap

0.54 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
1 DFT source

Structures

18
2 databases, 2 space groups
Uses

Applications

Where Au2Cl6Cs2 is used.

Materials science researchSolid-state electronic studiesCoordination chemistry exploration
Reference

Frequently Asked Questions

Common questions about Au2Cl6Cs2, answered from cross-validated data.

What is Au2Cl6Cs2?

Au2Cl6Cs2 is a thermodynamically stable semiconducting compound containing gold, chlorine, and cesium.

More questions
What is Au2Cl6Cs2 used for?
Au2Cl6Cs2 is used in materials science research, solid-state electronic studies, and coordination chemistry exploration.
What is the band gap of Au2Cl6Cs2?
Au2Cl6Cs2 has a DFT-computed band gap of 0.54 eV across 18 reported structures.
Is Au2Cl6Cs2 a metal, semiconductor, or insulator?
With a band gap up to 0.54 eV it is a semiconductor.
Is Au2Cl6Cs2 thermodynamically stable?
Yes — Au2Cl6Cs2 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
How many polymorphs of Au2Cl6Cs2 are known?
18 structures of Au2Cl6Cs2 are reported across 2 databases, spanning 2 distinct space groups.
What elements does Au2Cl6Cs2 contain?
Au2Cl6Cs2 contains Au, Cl, and Cs (3 elements).
Where does the data for Au2Cl6Cs2 come from?
Au2Cl6Cs2 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a unique inorganic phase, Au2Cl6Cs2 serves as a foundational example of gold-halide chemistry. It occupies a stable position in its compositional space, providing a benchmark for understanding the electronic and structural behavior of complex gold-containing salts.

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

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