MoF5

molybdenum pentafluoride · molybdenum(V) fluoride

Molybdenum pentafluoride is a stable, semiconducting inorganic compound composed of molybdenum and fluorine.

FMo
Crystal structure of MoF5
Ground-state structure · Materials Project
Overview

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.

At a glance

Key Properties

Cross-validated computational properties for molybdenum pentafluoride, aggregated across 3 databases.

Band Gap

0.80–2.08 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

37
3 databases, 10 space groups
Uses

Applications

Where molybdenum pentafluoride is used.

chemical synthesisfluorinating agentmaterials science research
Reference

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.

More questions
What is MoF5 used for?
molybdenum pentafluoride (MoF5) is used in chemical synthesis, fluorinating agent, and materials science research.
What is the band gap of MoF5?
molybdenum pentafluoride (MoF5) has a DFT-computed band gap of 0.80–2.08 eV across 37 reported structures.
Is MoF5 a metal, semiconductor, or insulator?
With a band gap up to 2.08 eV it is a semiconductor.
Is MoF5 thermodynamically stable?
Yes — molybdenum pentafluoride (MoF5) sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
How many polymorphs of MoF5 are known?
37 structures of MoF5 are reported across 3 databases, spanning 10 distinct space groups.
What elements does MoF5 contain?
molybdenum pentafluoride (MoF5) contains F and Mo (2 elements).
Where does the data for MoF5 come from?
MoF5 data is cross-referenced from latticegraph.
Comparison

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

Analyze MoF5 in the Lattice Graph platform

Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 53 integrated data sources.

Explore the Platform →