Ir2SiZn

Ir2SiZn is a semiconducting ternary intermetallic compound belonging to the platinum-group alloy catalyst family.

Crystal structure of Ir2SiZn
Ground-state structure · Materials Project
Overview

About Ir2SiZn

Ir2SiZn is a complex ternary intermetallic compound categorized within the platinum-group alloy catalysts. Its electronic character is defined by semiconducting behavior, distinguishing it from the purely metallic nature of many related iridium-based systems. The material has been identified across multiple structural configurations in various databases, highlighting its interest to researchers studying ternary phase space. Due to its position above the thermodynamic hull, it is considered a metastable phase that requires specific synthesis conditions to stabilize. This makes it a subject of fundamental study for understanding the formation of complex iridium-silicon-zinc architectures. Its potential utility lies in the exploration of catalytic surfaces where the specific arrangement of heavy platinum-group metals and lighter main-group elements can tune electronic properties for chemical transformations.

At a glance

Key Properties

Cross-validated computational properties for Ir2SiZn, aggregated across 3 databases.

Band Gap

0.21 eV
Range across DFT structures

Energy Above Hull

2.765 eV/atom
Best (lowest) across sources

Stability

Above hull
2 DFT sources

Structures

4
3 databases, 2 space groups
Uses

Applications

Where Ir2SiZn is used.

Catalysis researchMaterials science fundamental studiesIntermetallic structural analysis
Reference

Frequently Asked Questions

Common questions about Ir2SiZn, answered from cross-validated data.

What is Ir2SiZn?

Ir2SiZn is a semiconducting ternary intermetallic compound belonging to the platinum-group alloy catalyst family.

More questions
What is Ir2SiZn used for?
Ir2SiZn is used in catalysis research, materials science fundamental studies, and intermetallic structural analysis.
What is the band gap of Ir2SiZn?
Ir2SiZn has a DFT-computed band gap of 0.21 eV across 4 reported structures.
Is Ir2SiZn a metal, semiconductor, or insulator?
With a band gap up to 0.21 eV it is a semiconductor.
Is Ir2SiZn thermodynamically stable?
Ir2SiZn has a lowest energy above hull of 2.765 eV/atom (above hull).
How many polymorphs of Ir2SiZn are known?
4 structures of Ir2SiZn are reported across 3 databases, spanning 2 distinct space groups.
What elements does Ir2SiZn contain?
Ir2SiZn contains Ir, Si, and Zn (3 elements).
Where does the data for Ir2SiZn come from?
Ir2SiZn data is cross-referenced from latticegraph.
Comparison

How It Compares

Within the platinum-group alloy catalysts class.

Within the class of platinum-group alloy catalysts, Ir2SiZn occupies a unique niche compared to siblings like As2Ir or GeRu. While many members of this group exhibit metallic conductivity, Ir2SiZn is notable for its semiconducting electronic character. Unlike the more thermodynamically stable phases often found in this category, Ir2SiZn represents a metastable structural variant, providing a distinct contrast to the more robust intermetallic structures commonly observed in iridium-based alloy research.

Explore

Related Compounds

Other Platinum-Group Alloy Catalysts in the database.

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

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