BeCuPd2

BeCuPd2 is a semimetallic ternary alloy composed of beryllium, copper, and palladium that is primarily studied for its structural properties within the platinum-group catalyst family.

Crystal structure of BeCuPd2
Ground-state structure · Materials Project
Overview

About BeCuPd2

BeCuPd2 is a specialized intermetallic compound within the platinum-group alloy catalyst class. Characterized by a near-zero-gap electronic structure, it exhibits semimetallic behavior that is of significant interest for fundamental studies in surface science and catalysis.

While this material is recognized for its complex structural diversity, its position above the thermodynamic hull suggests it is a metastable phase. Its unique composition of beryllium, copper, and palladium makes it a subject of interest for researchers investigating how light elements influence the catalytic performance of noble metal alloys.

At a glance

Key Properties

Cross-validated computational properties for BeCuPd2, aggregated across 4 databases.

Band Gap

0.07 eV
Range across DFT structures

Energy Above Hull

2.394 eV/atom
Best (lowest) across sources

Stability

Above hull
3 DFT sources

Structures

5
4 databases, 4 space groups
Uses

Applications

Where BeCuPd2 is used.

Catalysis researchMaterials science modelingSurface science studies
Reference

Frequently Asked Questions

Common questions about BeCuPd2, answered from cross-validated data.

What is BeCuPd2?

BeCuPd2 is a semimetallic ternary alloy composed of beryllium, copper, and palladium that is primarily studied for its structural properties within the platinum-group catalyst family.

More questions
What is BeCuPd2 used for?
BeCuPd2 is used in catalysis research, materials science modeling, and surface science studies.
What is the band gap of BeCuPd2?
BeCuPd2 has a DFT-computed band gap of 0.07 eV across 5 reported structures.
Is BeCuPd2 a metal, semiconductor, or insulator?
With a near-zero band gap it behaves as a (semi)metal.
Is BeCuPd2 thermodynamically stable?
BeCuPd2 has a lowest energy above hull of 2.394 eV/atom (above hull).
How many polymorphs of BeCuPd2 are known?
5 structures of BeCuPd2 are reported across 4 databases, spanning 4 distinct space groups.
What elements does BeCuPd2 contain?
BeCuPd2 contains Be, Cu, and Pd (3 elements).
Where does the data for BeCuPd2 come from?
BeCuPd2 data is cross-referenced from latticegraph.
Comparison

How It Compares

Within the platinum-group alloy catalysts class.

Unlike more stable or widely utilized platinum-group alloys such as GeRu or BaPd, BeCuPd2 is distinguished by its metastable nature and specific electronic configuration. While many members of this class are engineered for robust industrial performance, this compound serves primarily as a model system for understanding the structural phase space of ternary palladium-based alloys.

Explore

Related Compounds

Other Platinum-Group Alloy Catalysts in the database.

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

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