Au1Pd2Sc1

Au1Pd2Sc1 is a semiconducting ternary alloy containing gold, palladium, and scandium that is studied for its unique electronic properties within the platinum-group catalyst family.

Crystal structure of Au1Pd2Sc1
Ground-state structure · Materials Project
Overview

About Au1Pd2Sc1

Au1Pd2Sc1 is a ternary intermetallic compound categorized within the platinum-group alloy catalysts. It exhibits semiconducting electronic behavior, which distinguishes it from the metallic nature typically associated with many noble metal alloys.

Due to its position above the thermodynamic hull, this material is considered metastable. Its existence within a significant body of reported structures highlights its interest to researchers investigating complex phase spaces in catalytic material design.

At a glance

Key Properties

Cross-validated computational properties for Au1Pd2Sc1, aggregated across 2 databases.

Band Gap

0.64 eV
Range across DFT structures

Energy Above Hull

2.078 eV/atom
Best (lowest) across sources

Stability

Above hull
1 DFT source

Structures

27
2 databases, 13 space groups
Uses

Applications

Where Au1Pd2Sc1 is used.

Catalysis researchMaterials science explorationIntermetallic phase study
Reference

Frequently Asked Questions

Common questions about Au1Pd2Sc1, answered from cross-validated data.

What is Au1Pd2Sc1?

Au1Pd2Sc1 is a semiconducting ternary alloy containing gold, palladium, and scandium that is studied for its unique electronic properties within the platinum-group catalyst family.

More questions
What is Au1Pd2Sc1 used for?
Au1Pd2Sc1 is used in catalysis research, materials science exploration, and intermetallic phase study.
What is the band gap of Au1Pd2Sc1?
Au1Pd2Sc1 has a DFT-computed band gap of 0.64 eV across 27 reported structures.
Is Au1Pd2Sc1 a metal, semiconductor, or insulator?
With a band gap up to 0.64 eV it is a semiconductor.
Is Au1Pd2Sc1 thermodynamically stable?
Au1Pd2Sc1 has a lowest energy above hull of 2.078 eV/atom (above hull).
How many polymorphs of Au1Pd2Sc1 are known?
27 structures of Au1Pd2Sc1 are reported across 2 databases, spanning 13 distinct space groups.
What elements does Au1Pd2Sc1 contain?
Au1Pd2Sc1 contains Au, Pd, and Sc (3 elements).
Where does the data for Au1Pd2Sc1 come from?
Au1Pd2Sc1 data is cross-referenced from latticegraph.
Comparison

How It Compares

Within the platinum-group alloy catalysts class.

Unlike more stable or common platinum-group intermetallics such as GeRu or BaPd, Au1Pd2Sc1 occupies a more precarious thermodynamic state. While many of its class members are characterized by robust metallic bonding, this compound's semiconducting nature and metastability suggest a unique electronic environment that sets it apart from more conventional binary siblings like LaRh or As2Ir.

Explore

Related Compounds

Other Platinum-Group Alloy Catalysts in the database.

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

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