BaBiClO2
BaBiClO2 is a thermodynamically stable, wide-gap insulating compound containing barium, bismuth, chlorine, and oxygen.
About BaBiClO2
BaBiClO2 is a complex inorganic compound composed of barium, bismuth, chlorine, and oxygen. As a wide-gap insulator, it exhibits distinct electronic properties that make it a subject of interest for fundamental materials research and potential optoelectronic applications.
This material is recognized for being thermodynamically stable, sitting directly on the convex hull. Its structural diversity is supported by multiple reported entries across major materials databases, highlighting its significance as a robust candidate for further experimental investigation.
Key Properties
Cross-validated computational properties for BaBiClO2, 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 BaBiClO2 is used.
Frequently Asked Questions
Common questions about BaBiClO2, answered from cross-validated data.
What is BaBiClO2?
BaBiClO2 is a thermodynamically stable, wide-gap insulating compound containing barium, bismuth, chlorine, and oxygen.
What is BaBiClO2 used for?
What is the band gap of BaBiClO2?
Is BaBiClO2 a metal, semiconductor, or insulator?
Is BaBiClO2 thermodynamically stable?
How many polymorphs of BaBiClO2 are known?
What elements does BaBiClO2 contain?
Where does the data for BaBiClO2 come from?
How It Compares
As a unique inorganic phase, BaBiClO2 represents a distinct structural arrangement within its chemical family. While it currently stands as a singular entry in this context, its thermodynamic stability suggests it serves as a reliable baseline for exploring complex oxyhalide systems.
Data sources & attribution
- latticegraph — Lattice Graph Materials Intelligence Platform
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