I4Si
I4Si is a thermodynamically stable, semiconducting silicon-iodide compound investigated for its potential role in advanced energy storage applications.
About I4Si
I4Si is a semiconducting compound composed of silicon and iodine. As a thermodynamically stable member of the silicon anode material class, it represents a distinct chemical arrangement that sits firmly on the convex hull, indicating significant structural integrity under standard conditions. Its electronic character makes it an interesting subject for researchers investigating alternative materials for battery electrodes.
The compound is part of a growing body of silicon-based materials being evaluated for their potential in next-generation energy storage. With multiple reported structures, I4Si offers a unique crystalline framework that differentiates it from more traditional silicon-based systems, providing a platform for studying how halogen incorporation influences the electrochemical performance of silicon-based anodes.
Key Properties
Cross-validated computational properties for I4Si, 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 I4Si is used.
Frequently Asked Questions
Common questions about I4Si, answered from cross-validated data.
What is I4Si?
I4Si is a thermodynamically stable, semiconducting silicon-iodide compound investigated for its potential role in advanced energy storage applications.
What is I4Si used for?
What is the band gap of I4Si?
Is I4Si a metal, semiconductor, or insulator?
Is I4Si thermodynamically stable?
How many polymorphs of I4Si are known?
What elements does I4Si contain?
Where does the data for I4Si come from?
How It Compares
Within the silicon anode materials class.
Unlike the metallic or highly conductive silicides such as FeSi or the widely utilized elemental silicon, I4Si occupies a specialized niche as a semiconducting iodide. While materials like Mg2Si and BaSi2 are frequently studied for their specific electronic properties, I4Si provides a distinct chemical environment that contrasts with the binary silicide landscape, offering a different approach to tuning the structural and electronic characteristics required for anode applications.
Related Compounds
Other Silicon Anode Materials in the database.
Data sources & attribution
- latticegraph — Lattice Graph Materials Intelligence Platform
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