IrLiSi2

IrLiSi2 is a semiconducting ternary alloy containing iridium, lithium, and silicon that is currently being investigated for its structural characteristics.

Crystal structure of IrLiSi2
Ground-state structure · Materials Project
Overview

About IrLiSi2

IrLiSi2 is a complex ternary compound categorized within the platinum-group alloy catalysts. Characterized by its semiconducting electronic nature, this material represents a unique intersection of transition metal, alkali metal, and metalloid chemistry.

While it is currently identified as being above the thermodynamic hull, suggesting potential instability under standard conditions, it remains a subject of interest in structural databases. Its existence across multiple reported structures highlights the ongoing exploration of iridium-based ternary systems in materials science.

At a glance

Key Properties

Cross-validated computational properties for IrLiSi2, aggregated across 3 databases.

Band Gap

0.22 eV
Range across DFT structures

Energy Above Hull

2.480 eV/atom
Best (lowest) across sources

Stability

Above hull
2 DFT sources

Structures

10
3 databases, 2 space groups
Uses

Applications

Where IrLiSi2 is used.

Catalysis researchMaterials science explorationSolid-state chemistry studies
Reference

Frequently Asked Questions

Common questions about IrLiSi2, answered from cross-validated data.

What is IrLiSi2?

IrLiSi2 is a semiconducting ternary alloy containing iridium, lithium, and silicon that is currently being investigated for its structural characteristics.

More questions
What is IrLiSi2 used for?
IrLiSi2 is used in catalysis research, materials science exploration, and solid-state chemistry studies.
What is the band gap of IrLiSi2?
IrLiSi2 has a DFT-computed band gap of 0.22 eV across 10 reported structures.
Is IrLiSi2 a metal, semiconductor, or insulator?
With a band gap up to 0.22 eV it is a semiconductor.
Is IrLiSi2 thermodynamically stable?
IrLiSi2 has a lowest energy above hull of 2.480 eV/atom (above hull).
How many polymorphs of IrLiSi2 are known?
10 structures of IrLiSi2 are reported across 3 databases, spanning 2 distinct space groups.
What elements does IrLiSi2 contain?
IrLiSi2 contains Ir, Li, and Si (3 elements).
Where does the data for IrLiSi2 come from?
IrLiSi2 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, IrLiSi2 occupies a distinct niche compared to more stable or binary counterparts like As2Ir or GeRu. Unlike the more frequently studied binary phases, this ternary compound reflects the challenges of synthesizing complex iridium-lithium-silicon frameworks that deviate from the standard stability profiles seen in simpler platinum-group systems.

Explore

Related Compounds

Other Platinum-Group Alloy Catalysts in the database.

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

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