IrSe3

IrSe3 is a metallic, metastable iridium-selenium compound used in the study of platinum-group alloy catalysts.

Crystal structure of IrSe3
Ground-state structure · Materials Project
Overview

About IrSe3

IrSe3 is a metallic compound composed of iridium and selenium, falling under the category of platinum-group alloy catalysts. As a metastable material, it represents a complex structural arrangement that has been the subject of extensive investigation across multiple databases. Its electronic character suggests high conductivity, making it an intriguing candidate for catalytic research where metallic behavior is beneficial.

The material is primarily studied for its potential roles in electrochemical processes and advanced material synthesis. Its existence as a metastable phase highlights the intricate bonding dynamics between iridium and chalcogen elements, providing researchers with a distinct structural profile that differs from more common, highly stable alloys.

At a glance

Key Properties

Cross-validated computational properties for IrSe3, aggregated across 4 databases.

Band Gap

Metallic / not reported

Energy Above Hull

0.063 eV/atom
Best (lowest) across sources

Stability

Metastable
3 DFT sources

Structures

54
4 databases, 14 space groups
Uses

Applications

Where IrSe3 is used.

Electrochemical catalysis researchAdvanced materials developmentSolid-state chemistry studies
Reference

Frequently Asked Questions

Common questions about IrSe3, answered from cross-validated data.

What is IrSe3?

IrSe3 is a metallic, metastable iridium-selenium compound used in the study of platinum-group alloy catalysts.

More questions
What is IrSe3 used for?
IrSe3 is used in electrochemical catalysis research, advanced materials development, and solid-state chemistry studies.
What is the band gap of IrSe3?
IrSe3 is computed to be metallic (no band gap) in the reported DFT structures.
Is IrSe3 a metal, semiconductor, or insulator?
Computed band structures report no gap, so it is metallic.
Is IrSe3 thermodynamically stable?
IrSe3 has a lowest energy above hull of 0.063 eV/atom (metastable).
How many polymorphs of IrSe3 are known?
54 structures of IrSe3 are reported across 4 databases, spanning 14 distinct space groups.
What elements does IrSe3 contain?
IrSe3 contains Ir and Se (2 elements).
Where does the data for IrSe3 come from?
IrSe3 data is cross-referenced from latticegraph.
Comparison

How It Compares

Within the platinum-group alloy catalysts class.

Within the diverse family of platinum-group alloy catalysts, IrSe3 occupies a distinct niche compared to its sibling IrSe2. While IrSe2 is often recognized for its specific stoichiometry and stability, IrSe3 represents a more complex, metastable phase that challenges standard structural expectations for iridium-based chalcogenides, offering a different set of physical properties compared to simpler binary systems 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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