Ba4I4O2
Ba4I4O2 is a thermodynamically stable, insulating crystalline compound composed of barium, iodine, and oxygen.
About Ba4I4O2
Ba4I4O2 is a complex inorganic compound composed of barium, iodine, and oxygen. As a wide-band-gap insulator, it exhibits distinct electronic characteristics that make it an interesting subject for fundamental materials research.
Its thermodynamic stability on the convex hull suggests a robust structural configuration. The existence of multiple reported structures across databases highlights its significance in the study of complex barium-based oxyhalides.
Key Properties
Cross-validated computational properties for Ba4I4O2, aggregated across 4 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 Ba4I4O2, answered from cross-validated data.
What is Ba4I4O2?
Ba4I4O2 is a thermodynamically stable, insulating crystalline compound composed of barium, iodine, and oxygen.
What is the band gap of Ba4I4O2?
Is Ba4I4O2 a metal, semiconductor, or insulator?
Is Ba4I4O2 thermodynamically stable?
How many polymorphs of Ba4I4O2 are known?
What elements does Ba4I4O2 contain?
Where does the data for Ba4I4O2 come from?
How It Compares
As a unique member of the barium oxyhalide family, Ba4I4O2 serves as a foundational example of how oxygen and iodine can coordinate with alkaline earth metals to form stable, insulating crystalline frameworks.
Data sources & attribution
- latticegraph — Lattice Graph Materials Intelligence Platform
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