Ba4I6O
Ba4I6O is a thermodynamically stable, insulating crystalline compound containing barium, iodine, and oxygen.
About Ba4I6O
Ba4I6O is a complex inorganic compound composed of barium, iodine, and oxygen. As a thermodynamically stable phase residing on the convex hull, it represents a well-defined structural arrangement within its chemical system.
Characterized by its wide-band-gap insulating nature, this material is of interest for fundamental studies in solid-state chemistry. Its existence across multiple reported structures highlights its significance as a distinct crystalline phase in materials research.
Key Properties
Cross-validated computational properties for Ba4I6O, 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.
Frequently Asked Questions
Common questions about Ba4I6O, answered from cross-validated data.
What is Ba4I6O?
Ba4I6O is a thermodynamically stable, insulating crystalline compound containing barium, iodine, and oxygen.
What is the band gap of Ba4I6O?
Is Ba4I6O a metal, semiconductor, or insulator?
Is Ba4I6O thermodynamically stable?
How many polymorphs of Ba4I6O are known?
What elements does Ba4I6O contain?
Where does the data for Ba4I6O come from?
How It Compares
As a unique compound within this specific chemical space, Ba4I6O serves as a benchmark for understanding the structural interplay between alkaline earth metals, halides, and oxygen, providing a stable reference point for future exploration of similar complex systems.
Data sources & attribution
- latticegraph — Lattice Graph Materials Intelligence Platform
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