Ir1Li1Mg2

Ir1Li1Mg2 is a thermodynamically stable, semimetallic intermetallic alloy containing iridium, lithium, and magnesium, primarily utilized in catalytic research.

Crystal structure of Ir1Li1Mg2
Ground-state structure · Materials Project
Overview

About Ir1Li1Mg2

Ir1Li1Mg2 is a complex intermetallic compound belonging to the platinum-group alloy catalyst class. Characterized by its semimetallic electronic nature, it exhibits high thermodynamic stability, placing it directly on the convex hull of stable phases. Its structural complexity is underscored by a significant number of reported configurations within materials databases.

This compound serves as a model system for exploring the synergy between noble metals and light elements in catalytic applications. Its stability and unique electronic density of states make it a compelling candidate for fundamental studies in surface chemistry and heterogeneous catalysis.

At a glance

Key Properties

Cross-validated computational properties for Ir1Li1Mg2, aggregated across 2 databases.

Band Gap

0.08 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
1 DFT source

Structures

27
2 databases, 15 space groups
Uses

Applications

Where Ir1Li1Mg2 is used.

Heterogeneous catalysis researchSurface chemistry studiesFundamental materials science
Reference

Frequently Asked Questions

Common questions about Ir1Li1Mg2, answered from cross-validated data.

What is Ir1Li1Mg2?

Ir1Li1Mg2 is a thermodynamically stable, semimetallic intermetallic alloy containing iridium, lithium, and magnesium, primarily utilized in catalytic research.

More questions
What is Ir1Li1Mg2 used for?
Ir1Li1Mg2 is used in heterogeneous catalysis research, surface chemistry studies, and fundamental materials science.
What is the band gap of Ir1Li1Mg2?
Ir1Li1Mg2 has a DFT-computed band gap of 0.08 eV across 27 reported structures.
Is Ir1Li1Mg2 a metal, semiconductor, or insulator?
With a near-zero band gap it behaves as a (semi)metal.
Is Ir1Li1Mg2 thermodynamically stable?
Yes — Ir1Li1Mg2 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
How many polymorphs of Ir1Li1Mg2 are known?
27 structures of Ir1Li1Mg2 are reported across 2 databases, spanning 15 distinct space groups.
What elements does Ir1Li1Mg2 contain?
Ir1Li1Mg2 contains Ir, Li, and Mg (3 elements).
Where does the data for Ir1Li1Mg2 come from?
Ir1Li1Mg2 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, Ir1Li1Mg2 occupies a distinct niche compared to binary phases like As2Ir or P3Ru. While many members of this class focus on simple stoichiometry, the inclusion of lithium and magnesium alongside iridium creates a more complex lattice environment that differentiates its catalytic potential from simpler transition metal compounds 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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