Mg1Pd1Zn2

Mg1Pd1Zn2 is a semiconducting intermetallic alloy composed of magnesium, palladium, and zinc that is primarily studied for its potential catalytic properties.

Crystal structure of Mg1Pd1Zn2
Ground-state structure · Materials Project
Overview

About Mg1Pd1Zn2

Mg1Pd1Zn2 is a complex intermetallic compound categorized within the platinum-group alloy catalyst class. It exhibits semiconducting electronic properties, distinguishing it from the purely metallic behavior often associated with its constituent transition metals. Its structural diversity is evidenced by numerous reported configurations, highlighting its complex coordination environment. As a material residing above the thermodynamic hull, this compound is considered metastable. Its existence in multiple structural forms suggests a delicate balance of chemical interactions that are of significant interest for fundamental studies in catalysis and materials science.

At a glance

Key Properties

Cross-validated computational properties for Mg1Pd1Zn2, aggregated across 2 databases.

Band Gap

0.66 eV
Range across DFT structures

Energy Above Hull

1.513 eV/atom
Best (lowest) across sources

Stability

Above hull
1 DFT source

Structures

26
2 databases, 16 space groups
Uses

Applications

Where Mg1Pd1Zn2 is used.

Catalysis researchMaterials science explorationIntermetallic structural studies
Reference

Frequently Asked Questions

Common questions about Mg1Pd1Zn2, answered from cross-validated data.

What is Mg1Pd1Zn2?

Mg1Pd1Zn2 is a semiconducting intermetallic alloy composed of magnesium, palladium, and zinc that is primarily studied for its potential catalytic properties.

More questions
What is Mg1Pd1Zn2 used for?
Mg1Pd1Zn2 is used in catalysis research, materials science exploration, and intermetallic structural studies.
What is the band gap of Mg1Pd1Zn2?
Mg1Pd1Zn2 has a DFT-computed band gap of 0.66 eV across 26 reported structures.
Is Mg1Pd1Zn2 a metal, semiconductor, or insulator?
With a band gap up to 0.66 eV it is a semiconductor.
Is Mg1Pd1Zn2 thermodynamically stable?
Mg1Pd1Zn2 has a lowest energy above hull of 1.513 eV/atom (above hull).
How many polymorphs of Mg1Pd1Zn2 are known?
26 structures of Mg1Pd1Zn2 are reported across 2 databases, spanning 16 distinct space groups.
What elements does Mg1Pd1Zn2 contain?
Mg1Pd1Zn2 contains Mg, Pd, and Zn (3 elements).
Where does the data for Mg1Pd1Zn2 come from?
Mg1Pd1Zn2 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 As2Pt or BaPd, Mg1Pd1Zn2 occupies a metastable state, which often leads to unique reactivity profiles in catalytic applications. While siblings like Ga2Ru or GeRu are frequently investigated for their robust structural frameworks, Mg1Pd1Zn2 is notable for its high structural variability, providing a distinct case study for how magnesium-palladium-zinc systems deviate from standard noble metal alloy behavior.

Explore

Related Compounds

Other Platinum-Group Alloy Catalysts in the database.

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

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