Br3Cu3

Br3Cu3 is a thermodynamically stable semiconducting compound composed of copper and bromine.

BrCu
Crystal structure of Br3Cu3
Ground-state structure · Materials Project
Overview

About Br3Cu3

Br3Cu3 is a copper-based bromide compound characterized by its semiconducting electronic nature. As a material that sits on the convex hull, it exhibits significant thermodynamic stability, making it a robust candidate for fundamental studies in inorganic chemistry.

The compound is noted for its structural diversity, with numerous reported configurations across major materials databases. This high degree of structural data richness underscores its importance as a subject for ongoing research into copper-halide frameworks and their potential electronic applications.

At a glance

Key Properties

Cross-validated computational properties for Br3Cu3, aggregated across 5 databases.

Band Gap

0.17–1.00 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
3 DFT sources

Structures

26
5 databases, 9 space groups
Reference

Frequently Asked Questions

Common questions about Br3Cu3, answered from cross-validated data.

What is Br3Cu3?

Br3Cu3 is a thermodynamically stable semiconducting compound composed of copper and bromine.

More questions
What is the band gap of Br3Cu3?
Br3Cu3 has a DFT-computed band gap of 0.17–1.00 eV across 26 reported structures.
Is Br3Cu3 a metal, semiconductor, or insulator?
With a band gap up to 1.00 eV it is a semiconductor.
Is Br3Cu3 thermodynamically stable?
Yes — Br3Cu3 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
How many polymorphs of Br3Cu3 are known?
26 structures of Br3Cu3 are reported across 5 databases, spanning 9 distinct space groups.
What elements does Br3Cu3 contain?
Br3Cu3 contains Br and Cu (2 elements).
Where does the data for Br3Cu3 come from?
Br3Cu3 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a distinct copper-bromide phase, Br3Cu3 serves as a foundational example of stable stoichiometry within this binary system, providing a benchmark for understanding the structural complexity and electronic behavior of copper halides.

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

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