Cr1Ga1Ir2

Cr1Ga1Ir2 is a semiconducting intermetallic alloy composed of chromium, gallium, and iridium that is currently studied for its unique electronic properties.

Crystal structure of Cr1Ga1Ir2 (orthorhombic, Immm (No. 71))
Ground-state structure · Materials Project
Overview

About Cr1Ga1Ir2

Cr1Ga1Ir2 is a specialized intermetallic compound categorized within the platinum-group alloy catalysts. Its electronic character is defined as semiconducting, marking a distinct departure from the metallic behavior typically associated with many platinum-group materials. The compound exhibits structural complexity, as evidenced by its presence in multiple reported structural configurations.

Due to its position above the thermodynamic hull, this material is considered potentially unstable under standard conditions. Its role in the broader landscape of alloy catalysts is primarily academic, serving as a subject for understanding the interplay between transition metals and p-block elements in forming non-metallic electronic states.

At a glance

Key Properties

Cross-validated computational properties for Cr1Ga1Ir2, aggregated across 2 databases.

Band Gap

0.20 eV
Range across DFT structures

Energy Above Hull

3.110 eV/atom
Best (lowest) across sources

Stability

Above hull
1 DFT source

Structures

27
2 databases, 18 space groups
Crystallography

Reported Structures

Lowest-energy structures reported for Cr1Ga1Ir2, ranked by energy above hull.

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
Immm (No. 71)orthorhombic0.203.1104-30.0341.27
Pm (No. 6)
P4/mmm (No. 123)
Pmmm (No. 47)
P2/m (No. 10)
Cm (No. 8)
Cmmm (No. 65)
P4mm (No. 99)
C2/m (No. 12)
I-4m2 (No. 119)
P4/mmm (No. 123)
P4mm (No. 99)
Uses

Applications

Where Cr1Ga1Ir2 is used.

Catalysis researchMaterials science studiesElectronic property investigation
Reference

Frequently Asked Questions

Common questions about Cr1Ga1Ir2, answered from cross-validated data.

What is Cr1Ga1Ir2?

Cr1Ga1Ir2 is a semiconducting intermetallic alloy composed of chromium, gallium, and iridium that is currently studied for its unique electronic properties.

More questions
What is Cr1Ga1Ir2 used for?
Cr1Ga1Ir2 is used in catalysis research, materials science studies, and electronic property investigation.
What is the band gap of Cr1Ga1Ir2?
Cr1Ga1Ir2 has a DFT-computed band gap of 0.20 eV across 27 reported structures.
Is Cr1Ga1Ir2 a metal, semiconductor, or insulator?
With a band gap up to 0.20 eV it is a semiconductor.
Is Cr1Ga1Ir2 thermodynamically stable?
Cr1Ga1Ir2 has a lowest energy above hull of 3.110 eV/atom (above hull).
What is the crystal structure of Cr1Ga1Ir2?
The lowest-energy reported polymorph of Cr1Ga1Ir2 is orthorhombic symmetry, space group Immm (No. 71).
What is the density of Cr1Ga1Ir2?
The computed density of the ground-state structure of Cr1Ga1Ir2 is 1.27 g/cm³.
How many polymorphs of Cr1Ga1Ir2 are known?
27 structures of Cr1Ga1Ir2 are reported across 2 databases, spanning 18 distinct space groups.
What elements does Cr1Ga1Ir2 contain?
Cr1Ga1Ir2 contains Cr, Ga, and Ir (3 elements).
Where does the data for Cr1Ga1Ir2 come from?
Cr1Ga1Ir2 data is cross-referenced from materials_project, aflow.
Comparison

How It Compares

Within the platinum-group alloy catalysts class.

Unlike more stable or well-characterized members of the platinum-group alloy class such as As2Ir or GeRu, Cr1Ga1Ir2 occupies a more precarious thermodynamic state. While many siblings in this group are prized for their robust metallic conductivity and catalytic durability, this compound is notable for its semiconducting nature, which differentiates it from the highly conductive phases found in typical platinum-group intermetallics.

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Related Compounds

Other Platinum-Group Alloy Catalysts in the database.

Data sources & attribution
  • materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
  • aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).

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