TaOF3
TaOF3 is a metastable semiconducting oxyfluoride used primarily in fundamental materials science research.

About TaOF3
TaOF3 is a complex oxyfluoride characterized by its semiconducting electronic nature. As a metastable compound, it represents a unique intersection of transition metal chemistry and halide-oxide structural motifs, offering interesting pathways for synthetic material design. Its existence across multiple reported structures highlights its structural flexibility and the ongoing interest in characterizing its physical properties. This compound serves as a subject of fundamental study for understanding how oxygen and fluorine coordination around tantalum influences electronic behavior. Researchers examine such materials to explore how metastability can be harnessed for specialized applications in chemical sensing or catalytic processes where precise electronic control is required.
Key Properties
Cross-validated computational properties for TaOF3, 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 TaOF3 is used.
Frequently Asked Questions
Common questions about TaOF3, answered from cross-validated data.
What is TaOF3?
TaOF3 is a metastable semiconducting oxyfluoride used primarily in fundamental materials science research.
What is TaOF3 used for?
What is the band gap of TaOF3?
Is TaOF3 a metal, semiconductor, or insulator?
Is TaOF3 thermodynamically stable?
How many polymorphs of TaOF3 are known?
What elements does TaOF3 contain?
Where does the data for TaOF3 come from?
How It Compares
As a standalone entry in this specific chemical space, TaOF3 represents a distinct structural arrangement within the broader family of tantalum-based oxyfluorides. Its metastable nature distinguishes it from more common, highly stable tantalum oxides, positioning it as a specialized candidate for research into non-equilibrium material phases.
Data sources & attribution
- latticegraph — Lattice Graph Materials Intelligence Platform
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