MoF5
molybdenum pentafluoride · molybdenum(V) fluoride
Molybdenum pentafluoride is a stable, semiconducting inorganic compound composed of molybdenum and fluorine.

About molybdenum pentafluoride
Molybdenum pentafluoride is a binary fluoride compound that exhibits semiconducting electronic behavior. As a thermodynamically stable phase residing on the convex hull, it represents a well-defined state of matter within the molybdenum-fluorine system.
This material is characterized by significant structural diversity, with numerous reported configurations across major materials databases. Its stability and electronic properties make it a subject of interest for researchers investigating transition metal fluorides and their potential roles in specialized chemical processes.
Key Properties
Cross-validated computational properties for molybdenum pentafluoride, 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 molybdenum pentafluoride is used.
Frequently Asked Questions
Common questions about molybdenum pentafluoride, answered from cross-validated data.
What is MoF5?
Molybdenum pentafluoride is a stable, semiconducting inorganic compound composed of molybdenum and fluorine.
What is MoF5 used for?
What is the band gap of MoF5?
Is MoF5 a metal, semiconductor, or insulator?
Is MoF5 thermodynamically stable?
How many polymorphs of MoF5 are known?
What elements does MoF5 contain?
Where does the data for MoF5 come from?
How It Compares
As a stable binary fluoride, molybdenum pentafluoride serves as a fundamental reference point for understanding the behavior of high-oxidation-state transition metal halides. It functions as a key example of how molybdenum can coordinate with fluorine to achieve a stable semiconducting framework.
Data sources & attribution
- latticegraph — Lattice Graph Materials Intelligence Platform
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