As2Pd

As2Pd is a stable, metallic alloy composed of palladium and arsenic that is frequently studied for its structural properties and potential catalytic utility.

Crystal structure of As2Pd
Ground-state structure · Materials Project
Overview

About As2Pd

As2Pd is a metallic compound within the platinum-group alloy class, characterized by its robust thermodynamic stability. As a member of a group known for high structural diversity, it sits firmly on the convex hull, indicating a highly favorable energetic state that makes it a subject of significant interest in materials science. Its metallic nature suggests excellent electrical conductivity, which is a critical trait for materials intended for electrochemical applications. The extensive structural data available for this compound highlights its versatility and the complexity of its atomic arrangements. Researchers study this material to better understand the interplay between palladium and arsenic in forming stable, functional catalysts. Its presence in multiple databases underscores its importance as a foundational alloy for exploring new catalytic pathways.

At a glance

Key Properties

Cross-validated computational properties for As2Pd, aggregated across 4 databases.

Band Gap

Metallic / not reported

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
3 DFT sources

Structures

45
4 databases, 12 space groups
Uses

Applications

Where As2Pd is used.

Catalysis researchMaterials science studiesElectrochemical research
Reference

Frequently Asked Questions

Common questions about As2Pd, answered from cross-validated data.

What is As2Pd?

As2Pd is a stable, metallic alloy composed of palladium and arsenic that is frequently studied for its structural properties and potential catalytic utility.

More questions
What is As2Pd used for?
As2Pd is used in catalysis research, materials science studies, and electrochemical research.
What is the band gap of As2Pd?
As2Pd is computed to be metallic (no band gap) in the reported DFT structures.
Is As2Pd a metal, semiconductor, or insulator?
Computed band structures report no gap, so it is metallic.
Is As2Pd thermodynamically stable?
Yes — As2Pd sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
How many polymorphs of As2Pd are known?
45 structures of As2Pd are reported across 4 databases, spanning 12 distinct space groups.
What elements does As2Pd contain?
As2Pd contains As and Pd (2 elements).
Where does the data for As2Pd come from?
As2Pd data is cross-referenced from latticegraph.
Comparison

How It Compares

Within the platinum-group alloy catalysts class.

Within the diverse family of platinum-group alloys, As2Pd shares structural similarities with As2Pt, both serving as key examples of stable pnictide-based metallic phases. While siblings like BaPd or LaRh exhibit different bonding characteristics due to the inclusion of alkaline earth or rare-earth elements, As2Pd remains a specialized focus for those investigating the catalytic potential of palladium-arsenic systems.

Explore

Related Compounds

Other Platinum-Group Alloy Catalysts in the database.

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

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