BaBOF3
BaBOF3 is a metastable, insulating compound containing barium, boron, oxygen, and fluorine.
About BaBOF3
BaBOF3 is a complex inorganic compound composed of barium, boron, oxygen, and fluorine. As a wide-band-gap insulator, it exhibits electronic properties characteristic of materials that resist electrical conduction, making it a subject of interest for specialized dielectric applications.
Although it is classified as a metastable phase, the compound represents a unique structural arrangement within its elemental system. Its existence as a distinct, albeit challenging to synthesize, material provides valuable insights into the stability limits of oxyfluoride frameworks.
Key Properties
Cross-validated computational properties for BaBOF3, 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 BaBOF3 is used.
Frequently Asked Questions
Common questions about BaBOF3, answered from cross-validated data.
What is BaBOF3?
BaBOF3 is a metastable, insulating compound containing barium, boron, oxygen, and fluorine.
What is BaBOF3 used for?
What is the band gap of BaBOF3?
Is BaBOF3 a metal, semiconductor, or insulator?
Is BaBOF3 thermodynamically stable?
How many polymorphs of BaBOF3 are known?
What elements does BaBOF3 contain?
Where does the data for BaBOF3 come from?
How It Compares
As a unique inorganic phase, BaBOF3 occupies a specialized niche in materials science. Without direct structural siblings in its immediate class, it serves as a primary reference point for studying the interplay between alkaline earth metals and oxyfluoride anions in metastable configurations.
Data sources & attribution
- latticegraph — Lattice Graph Materials Intelligence Platform
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