Pd1Pt1Zr2

Pd1Pt1Zr2 is a semimetallic, metastable alloy composed of palladium, platinum, and zirconium, primarily researched for its potential in catalytic applications.

Crystal structure of Pd1Pt1Zr2
Ground-state structure · Materials Project
Overview

About Pd1Pt1Zr2

Pd1Pt1Zr2 is a complex intermetallic compound categorized within the platinum-group alloy catalyst family. Characterized by a near-zero-gap electronic structure, it behaves as a semimetal, which influences its potential for electron transfer and catalytic activity in specialized chemical environments.

Due to its position above the thermodynamic hull, this material is considered metastable, representing a challenging but intriguing subject for synthesis studies. Its structural diversity, evidenced by numerous reported configurations, makes it a significant focus for researchers investigating high-entropy or multi-component alloy systems.

At a glance

Key Properties

Cross-validated computational properties for Pd1Pt1Zr2, aggregated across 2 databases.

Band Gap

0.05 eV
Range across DFT structures

Energy Above Hull

3.294 eV/atom
Best (lowest) across sources

Stability

Above hull
1 DFT source

Structures

27
2 databases, 16 space groups
Uses

Applications

Where Pd1Pt1Zr2 is used.

Heterogeneous catalysis researchAdvanced alloy developmentMaterials science structural studies
Reference

Frequently Asked Questions

Common questions about Pd1Pt1Zr2, answered from cross-validated data.

What is Pd1Pt1Zr2?

Pd1Pt1Zr2 is a semimetallic, metastable alloy composed of palladium, platinum, and zirconium, primarily researched for its potential in catalytic applications.

More questions
What is Pd1Pt1Zr2 used for?
Pd1Pt1Zr2 is used in heterogeneous catalysis research, advanced alloy development, and materials science structural studies.
What is the band gap of Pd1Pt1Zr2?
Pd1Pt1Zr2 has a DFT-computed band gap of 0.05 eV across 27 reported structures.
Is Pd1Pt1Zr2 a metal, semiconductor, or insulator?
With a near-zero band gap it behaves as a (semi)metal.
Is Pd1Pt1Zr2 thermodynamically stable?
Pd1Pt1Zr2 has a lowest energy above hull of 3.294 eV/atom (above hull).
How many polymorphs of Pd1Pt1Zr2 are known?
27 structures of Pd1Pt1Zr2 are reported across 2 databases, spanning 16 distinct space groups.
What elements does Pd1Pt1Zr2 contain?
Pd1Pt1Zr2 contains Pd, Pt, and Zr (3 elements).
Where does the data for Pd1Pt1Zr2 come from?
Pd1Pt1Zr2 data is cross-referenced from latticegraph.
Comparison

How It Compares

Within the platinum-group alloy catalysts class.

Unlike more thermodynamically stable members of the platinum-group alloy class such as P3Ru or LaRh, Pd1Pt1Zr2 exists in a metastable state that requires precise synthesis conditions to stabilize. While many class members like As2Pt or IrSe2 are studied for their robust electronic properties, this compound stands out for its complex structural landscape and semimetallic nature, offering a unique template for exploring non-equilibrium catalytic surfaces.

Explore

Related Compounds

Other Platinum-Group Alloy Catalysts in the database.

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

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