BeCuBr

BeCuBr is a semimetallic, thermodynamically unstable inorganic compound composed of beryllium, copper, and bromine that is primarily studied for its structural diversity.

BeBrCu
Crystal structure of BeCuBr
Ground-state structure · Materials Project
Overview

About BeCuBr

BeCuBr is a complex inorganic compound composed of beryllium, copper, and bromine. Its electronic character is defined as semimetallic, placing it in a unique position where its conductive properties are influenced by its specific atomic arrangement. Given its status as a material that sits above the thermodynamic hull, it is considered inherently unstable under standard conditions. The compound has attracted significant attention in computational materials science, as evidenced by its presence across multiple structural databases. Researchers study its various configurations to understand the fundamental interactions between these distinct elements, which is essential for characterizing its potential behavior in theoretical high-energy states.

At a glance

Key Properties

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

Band Gap

0.08 eV
Range across DFT structures

Energy Above Hull

1.306 eV/atom
Best (lowest) across sources

Stability

Above hull
2 DFT sources

Structures

8
3 databases, 5 space groups
Reference

Frequently Asked Questions

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

What is BeCuBr?

BeCuBr is a semimetallic, thermodynamically unstable inorganic compound composed of beryllium, copper, and bromine that is primarily studied for its structural diversity.

More questions
What is the band gap of BeCuBr?
BeCuBr has a DFT-computed band gap of 0.08 eV across 8 reported structures.
Is BeCuBr a metal, semiconductor, or insulator?
With a near-zero band gap it behaves as a (semi)metal.
Is BeCuBr thermodynamically stable?
BeCuBr has a lowest energy above hull of 1.306 eV/atom (above hull).
How many polymorphs of BeCuBr are known?
8 structures of BeCuBr are reported across 3 databases, spanning 5 distinct space groups.
What elements does BeCuBr contain?
BeCuBr contains Be, Br, and Cu (3 elements).
Where does the data for BeCuBr come from?
BeCuBr data is cross-referenced from latticegraph.
Comparison

How It Compares

As an unclassified material with no direct siblings provided, BeCuBr serves as a unique case study in structural diversity. Its existence across multiple reported configurations highlights the complexity of ternary systems involving light alkaline earth metals and transition metal halides, distinguishing it as a subject of intense theoretical interest rather than a standard industrial commodity.

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

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