Bi2OF4
Bi2OF4 is a wide-gap insulating bismuth oxyfluoride that is theoretically stable enough to be synthesized for advanced materials research.
About Bi2OF4
Bi2OF4 is a bismuth-based oxyfluoride characterized by its wide-gap insulating electronic profile. Its composition, involving both oxygen and fluorine anions, suggests a complex structural arrangement typical of materials that bridge the gap between simple oxides and fluorides.
As a near-hull stable compound, it is considered a prime candidate for experimental synthesis. The existence of multiple reported structures across databases highlights its significance as an intriguing subject for solid-state chemistry research and potential functional material development.
Key Properties
Cross-validated computational properties for Bi2OF4, 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 Bi2OF4 is used.
Frequently Asked Questions
Common questions about Bi2OF4, answered from cross-validated data.
What is Bi2OF4?
Bi2OF4 is a wide-gap insulating bismuth oxyfluoride that is theoretically stable enough to be synthesized for advanced materials research.
What is Bi2OF4 used for?
What is the band gap of Bi2OF4?
Is Bi2OF4 a metal, semiconductor, or insulator?
Is Bi2OF4 thermodynamically stable?
How many polymorphs of Bi2OF4 are known?
What elements does Bi2OF4 contain?
Where does the data for Bi2OF4 come from?
How It Compares
As a unique bismuth oxyfluoride, Bi2OF4 occupies a distinct niche in inorganic materials science. While many bismuth-based compounds are studied for their optoelectronic properties, this specific stoichiometry represents a specialized structural configuration that warrants further investigation into its stability and dielectric behavior relative to simpler bismuth oxides.
Data sources & attribution
- latticegraph — Lattice Graph Materials Intelligence Platform
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