IrF3
IrF3 is a thermodynamically stable, semiconducting iridium fluoride compound that serves as a key subject for structural and electronic studies.

About IrF3
IrF3 is a semiconducting fluoride compound featuring iridium, a noble metal known for its chemical robustness. As a thermodynamically stable phase located on the convex hull, it represents a well-defined structural arrangement that highlights the complex bonding interactions between iridium and fluorine.
This compound is of significant interest in materials science due to its structural diversity, with numerous reported configurations across major databases. Its electronic character and stability make it a noteworthy subject for researchers investigating the fundamental behavior of iridium-based systems in diverse chemical environments.
Key Properties
Cross-validated computational properties for IrF3, aggregated across 3 databases.
Band GapEnergy needed to move an electron from the valence band to the conduction band. Lower or zero values tend to behave more metallic; larger gaps are more insulating or semiconducting.
Energy Above HullThermodynamic distance from the most stable set of competing phases. 0 eV/atom is on the convex hull; small positive values may still be experimentally accessible.
StabilityA plain-language summary of the best reported energy-above-hull result. It reflects whether the lowest-energy structure is on, near, or far from the stability hull.
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
Applications
Where IrF3 is used.
Frequently Asked Questions
Common questions about IrF3, answered from cross-validated data.
What is IrF3?
IrF3 is a thermodynamically stable, semiconducting iridium fluoride compound that serves as a key subject for structural and electronic studies.
What is IrF3 used for?
What is the band gap of IrF3?
Is IrF3 a metal, semiconductor, or insulator?
Is IrF3 thermodynamically stable?
How many polymorphs of IrF3 are known?
What elements does IrF3 contain?
Where does the data for IrF3 come from?
How It Compares
Within the platinum-group alloy catalysts class.
Unlike many intermetallic platinum-group alloy catalysts such as LaRh or BaPd, which are typically characterized by metallic bonding, IrF3 exhibits a distinct semiconducting nature. While it shares the iridium-based lineage with compounds like As2Ir, its fluoride chemistry sets it apart from the arsenide and selenide variants in this class, positioning it as a unique inorganic framework within the broader family of iridium-containing materials.
Related Compounds
Other Platinum-Group Alloy Catalysts in the database.
Data sources & attribution
- latticegraph — Lattice Graph Materials Intelligence Platform
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