MoF3
MoF3 is a thermodynamically stable, wide-band-gap insulating compound composed of molybdenum and fluorine.
About MoF3
MoF3 is a distinct inorganic fluoride compound characterized by its insulating electronic nature. As a thermodynamically stable phase residing on the convex hull, it represents a robust structural configuration that is of significant interest for fundamental materials science studies. Its wide-band-gap behavior makes it a compelling subject for researchers investigating the electronic properties of transition metal halides. The compound is supported by a substantial body of structural data, reflecting its established presence in experimental and computational databases. This wealth of information underscores its importance as a reference material for understanding fluoride-based chemical systems and their potential in specialized technological applications.
Key Properties
Cross-validated computational properties for MoF3, 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 MoF3 is used.
Frequently Asked Questions
Common questions about MoF3, answered from cross-validated data.
What is MoF3?
MoF3 is a thermodynamically stable, wide-band-gap insulating compound composed of molybdenum and fluorine.
What is MoF3 used for?
What is the band gap of MoF3?
Is MoF3 a metal, semiconductor, or insulator?
Is MoF3 thermodynamically stable?
How many polymorphs of MoF3 are known?
What elements does MoF3 contain?
Where does the data for MoF3 come from?
How It Compares
As a unique fluoride phase, MoF3 serves as a foundational example of stable transition metal compounds within this chemical family. It provides a key benchmark for structural stability and electronic insulation, offering a distinct profile that helps define the broader landscape of molybdenum-fluorine interactions.
Data sources & attribution
- latticegraph — Lattice Graph Materials Intelligence Platform
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