RbCuCl3

RbCuCl3 is a thermodynamically stable semiconducting halide compound used as a reference material in structural and electronic research.

ClCuRb
Crystal structure of RbCuCl3
Ground-state structure · Materials Project
Overview

About RbCuCl3

RbCuCl3 is a semiconducting ternary halide compound composed of rubidium, copper, and chlorine. Its position on the thermodynamic convex hull indicates high stability, making it a reliable subject for structural investigation and materials research.

With numerous reported crystal structures, this compound serves as a significant model for understanding the behavior of copper-based halides. Its electronic character suggests potential utility in specialized optoelectronic or sensor applications where stable semiconducting materials are required.

At a glance

Key Properties

Cross-validated computational properties for RbCuCl3, aggregated across 3 databases.

Band Gap

0.19 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

19
3 databases, 5 space groups
Uses

Applications

Where RbCuCl3 is used.

Materials science researchSolid-state chemistry studiesSemiconductor development
Reference

Frequently Asked Questions

Common questions about RbCuCl3, answered from cross-validated data.

What is RbCuCl3?

RbCuCl3 is a thermodynamically stable semiconducting halide compound used as a reference material in structural and electronic research.

More questions
What is RbCuCl3 used for?
RbCuCl3 is used in materials science research, solid-state chemistry studies, and semiconductor development.
What is the band gap of RbCuCl3?
RbCuCl3 has a DFT-computed band gap of 0.19 eV across 19 reported structures.
Is RbCuCl3 a metal, semiconductor, or insulator?
With a band gap up to 0.19 eV it is a semiconductor.
Is RbCuCl3 thermodynamically stable?
Yes — RbCuCl3 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
How many polymorphs of RbCuCl3 are known?
19 structures of RbCuCl3 are reported across 3 databases, spanning 5 distinct space groups.
What elements does RbCuCl3 contain?
RbCuCl3 contains Cl, Cu, and Rb (3 elements).
Where does the data for RbCuCl3 come from?
RbCuCl3 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a distinct ternary halide, RbCuCl3 serves as a foundational example of stable copper-based ionic structures. Without direct structural siblings in this specific class, it stands as a unique reference point for researchers exploring the interplay between alkali metal cations and transition metal halide frameworks.

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

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