F6IrNa3

F6IrNa3 is a semiconducting iridium-based fluoride compound studied for its unique electronic properties within the platinum-group material class.

Crystal structure of F6IrNa3
Ground-state structure · Materials Project
Overview

About F6IrNa3

F6IrNa3 is a complex fluoride compound featuring iridium and sodium. As a member of the platinum-group alloy catalyst class, it exhibits semiconducting electronic behavior, which distinguishes it from more metallic counterparts in the group. Its structural configuration is of interest for fundamental research into iridium-based coordination environments.

Due to its position above the thermodynamic hull, this material is considered metastable. While it is less common than highly stable noble metal alloys, its existence across multiple structural databases highlights its significance in theoretical studies of iridium-fluorine bonding and potential catalytic pathways.

At a glance

Key Properties

Cross-validated computational properties for F6IrNa3, aggregated across 3 databases.

Band Gap

2.04 eV
Range across DFT structures

Energy Above Hull

0.109 eV/atom
Best (lowest) across sources

Stability

Above hull
2 DFT sources

Structures

3
3 databases, 1 space group
Uses

Applications

Where F6IrNa3 is used.

Fundamental materials researchTheoretical catalyst modelingSolid-state chemistry studies
Reference

Frequently Asked Questions

Common questions about F6IrNa3, answered from cross-validated data.

What is F6IrNa3?

F6IrNa3 is a semiconducting iridium-based fluoride compound studied for its unique electronic properties within the platinum-group material class.

More questions
What is F6IrNa3 used for?
F6IrNa3 is used in fundamental materials research, theoretical catalyst modeling, and solid-state chemistry studies.
What is the band gap of F6IrNa3?
F6IrNa3 has a DFT-computed band gap of 2.04 eV across 3 reported structures.
Is F6IrNa3 a metal, semiconductor, or insulator?
With a band gap up to 2.04 eV it is a semiconductor.
Is F6IrNa3 thermodynamically stable?
F6IrNa3 has a lowest energy above hull of 0.109 eV/atom (above hull).
How many polymorphs of F6IrNa3 are known?
3 structures of F6IrNa3 are reported across 3 databases, spanning 1 distinct space group.
What elements does F6IrNa3 contain?
F6IrNa3 contains F, Ir, and Na (3 elements).
Where does the data for F6IrNa3 come from?
F6IrNa3 data is cross-referenced from latticegraph.
Comparison

How It Compares

Within the platinum-group alloy catalysts class.

Unlike the metallic and highly stable intermetallics like LaRh or GeRu, F6IrNa3 is a semiconducting fluoride that occupies a distinct niche within the platinum-group material family. While siblings such as As2Ir or As2Pt often exhibit more robust thermodynamic stability, F6IrNa3 serves as a valuable subject for investigating the electronic properties of iridium in non-metallic, halide-rich environments.

Explore

Related Compounds

Other Platinum-Group Alloy Catalysts in the database.

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

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