Cr1Hf2Ir1

Cr1Hf2Ir1 is a semiconducting ternary alloy containing chromium, hafnium, and iridium that exists in a metastable state.

Crystal structure of Cr1Hf2Ir1
Ground-state structure · Materials Project
Overview

About Cr1Hf2Ir1

Cr1Hf2Ir1 is a complex ternary alloy categorized within the platinum-group metal systems. It exhibits semiconducting electronic behavior, which distinguishes it from the typical metallic nature of many related transition metal alloys. Its structural diversity is evidenced by numerous reported configurations, highlighting its complexity in solid-state chemistry. Due to its position above the thermodynamic stability hull, this compound is considered metastable. This characteristic makes it a subject of significant interest for researchers investigating the synthesis of non-equilibrium phases and the potential for tuning electronic properties through structural manipulation.

At a glance

Key Properties

Cross-validated computational properties for Cr1Hf2Ir1, aggregated across 2 databases.

Band Gap

0.20 eV
Range across DFT structures

Energy Above Hull

3.938 eV/atom
Best (lowest) across sources

Stability

Above hull
1 DFT source

Structures

26
2 databases, 13 space groups
Uses

Applications

Where Cr1Hf2Ir1 is used.

Catalysis researchSolid-state electronic materials developmentFundamental materials science studies
Reference

Frequently Asked Questions

Common questions about Cr1Hf2Ir1, answered from cross-validated data.

What is Cr1Hf2Ir1?

Cr1Hf2Ir1 is a semiconducting ternary alloy containing chromium, hafnium, and iridium that exists in a metastable state.

More questions
What is Cr1Hf2Ir1 used for?
Cr1Hf2Ir1 is used in catalysis research, solid-state electronic materials development, and fundamental materials science studies.
What is the band gap of Cr1Hf2Ir1?
Cr1Hf2Ir1 has a DFT-computed band gap of 0.20 eV across 26 reported structures.
Is Cr1Hf2Ir1 a metal, semiconductor, or insulator?
With a band gap up to 0.20 eV it is a semiconductor.
Is Cr1Hf2Ir1 thermodynamically stable?
Cr1Hf2Ir1 has a lowest energy above hull of 3.938 eV/atom (above hull).
How many polymorphs of Cr1Hf2Ir1 are known?
26 structures of Cr1Hf2Ir1 are reported across 2 databases, spanning 13 distinct space groups.
What elements does Cr1Hf2Ir1 contain?
Cr1Hf2Ir1 contains Cr, Hf, and Ir (3 elements).
Where does the data for Cr1Hf2Ir1 come from?
Cr1Hf2Ir1 data is cross-referenced from latticegraph.
Comparison

How It Compares

Within the platinum-group alloy catalysts class.

Unlike more stable or conventional platinum-group compounds such as As2Ir or GeRu, Cr1Hf2Ir1 occupies a metastable state, making it a unique candidate for studies focusing on phase formation and stability limits within transition metal alloys.

Explore

Related Compounds

Other Platinum-Group Alloy Catalysts in the database.

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

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