Mg1Pt2Zr1

Mg1Pt2Zr1 is a thermodynamically stable, semiconducting platinum-group alloy used in advanced catalytic research.

Crystal structure of Mg1Pt2Zr1
Ground-state structure · Materials Project
Overview

About Mg1Pt2Zr1

Mg1Pt2Zr1 belongs to the class of platinum-group alloy catalysts, characterized by its semiconducting electronic nature. As a thermodynamically stable phase residing on the convex hull, it represents a robust structural arrangement that is highly favorable for catalytic applications. Its unique combination of magnesium, platinum, and zirconium provides a distinct electronic environment that influences its interaction with chemical species. This compound is of significant interest for researchers investigating the synergy between noble metals and earth-abundant elements to optimize catalytic performance. By leveraging its stable crystalline architecture, scientists can explore its potential in specialized chemical processes where precise electronic control is required.

At a glance

Key Properties

Cross-validated computational properties for Mg1Pt2Zr1, aggregated across 2 databases.

Band Gap

0.44 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
1 DFT source

Structures

28
2 databases, 17 space groups
Uses

Applications

Where Mg1Pt2Zr1 is used.

Catalysis researchMaterials science developmentElectronic component design
Reference

Frequently Asked Questions

Common questions about Mg1Pt2Zr1, answered from cross-validated data.

What is Mg1Pt2Zr1?

Mg1Pt2Zr1 is a thermodynamically stable, semiconducting platinum-group alloy used in advanced catalytic research.

More questions
What is Mg1Pt2Zr1 used for?
Mg1Pt2Zr1 is used in catalysis research, materials science development, and electronic component design.
What is the band gap of Mg1Pt2Zr1?
Mg1Pt2Zr1 has a DFT-computed band gap of 0.44 eV across 28 reported structures.
Is Mg1Pt2Zr1 a metal, semiconductor, or insulator?
With a band gap up to 0.44 eV it is a semiconductor.
Is Mg1Pt2Zr1 thermodynamically stable?
Yes — Mg1Pt2Zr1 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
How many polymorphs of Mg1Pt2Zr1 are known?
28 structures of Mg1Pt2Zr1 are reported across 2 databases, spanning 17 distinct space groups.
What elements does Mg1Pt2Zr1 contain?
Mg1Pt2Zr1 contains Mg, Pt, and Zr (3 elements).
Where does the data for Mg1Pt2Zr1 come from?
Mg1Pt2Zr1 data is cross-referenced from latticegraph.
Comparison

How It Compares

Within the platinum-group alloy catalysts class.

Within the diverse landscape of platinum-group alloy catalysts, Mg1Pt2Zr1 stands out for its specific stoichiometry compared to siblings like P3Ru or As2Pt. While many members of this class exhibit metallic behavior, Mg1Pt2Zr1 is distinguished by its semiconducting character, offering a unique electronic profile that sets it apart from more traditional conductors like BaPd or LaRh.

Explore

Related Compounds

Other Platinum-Group Alloy Catalysts in the database.

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

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