CsI3
Cesium triiodide
Cesium triiodide is a thermodynamically stable semiconducting compound formed from cesium and iodine that is studied for its diverse structural configurations.

About Cesium triiodide
Cesium triiodide is a semiconducting compound composed of cesium and iodine. As a thermodynamically stable member of the triiodide family, it sits securely on the convex hull, indicating a robust structural configuration that makes it a subject of significant interest for materials research.
Its electronic character allows it to function within semiconductor-based technologies. Given its structural diversity, with numerous reported configurations, it serves as a versatile candidate for exploring halide-based materials in various optoelectronic and sensing applications.
Key Properties
Cross-validated computational properties for Cesium triiodide, aggregated across 2 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 Cesium triiodide is used.
Frequently Asked Questions
Common questions about Cesium triiodide, answered from cross-validated data.
What is CsI3?
Cesium triiodide is a thermodynamically stable semiconducting compound formed from cesium and iodine that is studied for its diverse structural configurations.
What is CsI3 used for?
What is the band gap of CsI3?
Is CsI3 a metal, semiconductor, or insulator?
Is CsI3 thermodynamically stable?
How many polymorphs of CsI3 are known?
What elements does CsI3 contain?
Where does the data for CsI3 come from?
How It Compares
As a distinct halide-based semiconductor, cesium triiodide represents a stable structural archetype within its chemical class. It serves as a foundational example of how alkali metal cations interact with polyiodide networks to create stable, semiconducting solid-state architectures.
Data sources & attribution
- latticegraph — Lattice Graph Materials Intelligence Platform
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