Cd2Ir1Li1

Cd2Ir1Li1 is a semiconducting ternary intermetallic compound composed of cadmium, iridium, and lithium that belongs to the platinum-group alloy catalyst family.

Crystal structure of Cd2Ir1Li1
Ground-state structure · Materials Project
Overview

About Cd2Ir1Li1

Cd2Ir1Li1 is a complex ternary intermetallic compound within the platinum-group alloy catalyst class. Characterized by its semiconducting electronic nature, this material represents a unique integration of cadmium, iridium, and lithium into a lattice structure that has been documented across multiple structural configurations. Its existence as a metastable phase provides researchers with insights into the diverse bonding environments possible within iridium-containing alloys. While its thermodynamic profile suggests it sits above the hull, the structural data available for this compound highlights the intricate phase space of platinum-group metal alloys. It serves as a subject of interest for those studying the fundamental electronic properties of ternary systems that deviate from standard metallic behavior.

At a glance

Key Properties

Cross-validated computational properties for Cd2Ir1Li1, aggregated across 2 databases.

Band Gap

0.11 eV
Range across DFT structures

Energy Above Hull

1.800 eV/atom
Best (lowest) across sources

Stability

Above hull
1 DFT source

Structures

27
2 databases, 18 space groups
Uses

Applications

Where Cd2Ir1Li1 is used.

Catalysis researchMaterials science studiesSolid-state chemistry exploration
Reference

Frequently Asked Questions

Common questions about Cd2Ir1Li1, answered from cross-validated data.

What is Cd2Ir1Li1?

Cd2Ir1Li1 is a semiconducting ternary intermetallic compound composed of cadmium, iridium, and lithium that belongs to the platinum-group alloy catalyst family.

More questions
What is Cd2Ir1Li1 used for?
Cd2Ir1Li1 is used in catalysis research, materials science studies, and solid-state chemistry exploration.
What is the band gap of Cd2Ir1Li1?
Cd2Ir1Li1 has a DFT-computed band gap of 0.11 eV across 27 reported structures.
Is Cd2Ir1Li1 a metal, semiconductor, or insulator?
With a band gap up to 0.11 eV it is a semiconductor.
Is Cd2Ir1Li1 thermodynamically stable?
Cd2Ir1Li1 has a lowest energy above hull of 1.800 eV/atom (above hull).
How many polymorphs of Cd2Ir1Li1 are known?
27 structures of Cd2Ir1Li1 are reported across 2 databases, spanning 18 distinct space groups.
What elements does Cd2Ir1Li1 contain?
Cd2Ir1Li1 contains Cd, Ir, and Li (3 elements).
Where does the data for Cd2Ir1Li1 come from?
Cd2Ir1Li1 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, Cd2Ir1Li1 stands out for its semiconducting electronic character, which contrasts with the more typical metallic behavior found in siblings like LaRh or BaPd. While compounds such as As2Ir or GeRu are often investigated for their catalytic potential in industrial processes, Cd2Ir1Li1 occupies a more specialized niche due to its metastable nature and unique elemental combination, positioning it as a distinct structural variant compared to the more stable or common binary phases in the class.

Explore

Related Compounds

Other Platinum-Group Alloy Catalysts in the database.

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

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