NbOF3
NbOF3 is a thermodynamically stable, insulating oxyfluoride compound known for its diverse structural configurations.

About NbOF3
NbOF3 is a distinct inorganic compound characterized by its insulating electronic nature and high thermodynamic stability. As a member of the oxyfluoride family, it occupies a secure position on the convex hull, indicating robust structural integrity under standard conditions. Its structural complexity is highlighted by a significant number of reported configurations across major materials databases, reflecting its versatility in crystalline arrangements. This compound serves as a key subject for researchers investigating the interplay between oxygen and fluorine coordination in transition metal lattices. Its stable electronic profile makes it a compelling candidate for fundamental studies in dielectric materials and specialized chemical synthesis where precise coordination environments are required.
Key Properties
Cross-validated computational properties for NbOF3, 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 NbOF3 is used.
Frequently Asked Questions
Common questions about NbOF3, answered from cross-validated data.
What is NbOF3?
NbOF3 is a thermodynamically stable, insulating oxyfluoride compound known for its diverse structural configurations.
What is NbOF3 used for?
What is the band gap of NbOF3?
Is NbOF3 a metal, semiconductor, or insulator?
Is NbOF3 thermodynamically stable?
How many polymorphs of NbOF3 are known?
What elements does NbOF3 contain?
Where does the data for NbOF3 come from?
How It Compares
As a thermodynamically stable oxyfluoride, NbOF3 represents a well-defined structural archetype within its chemical class, serving as a primary reference point for understanding the stability of transition metal oxyfluoride systems.
Data sources & attribution
- latticegraph — Lattice Graph Materials Intelligence Platform
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