CoF4

CoF4 is a semiconducting cobalt fluoride compound that is considered a near-hull phase with potential for synthesis in specialized chemical environments.

CoF
Crystal structure of CoF4
Ground-state structure · Materials Project
Overview

About CoF4

CoF4 is a binary fluoride compound featuring cobalt in a high oxidation state. As a semiconducting material, it represents a unique intersection of transition metal chemistry and halide coordination, drawing significant interest for its electronic properties and structural versatility. The compound is characterized by its near-hull thermodynamic stability, suggesting that it is a viable candidate for experimental synthesis under controlled conditions. Its existence across multiple structural configurations highlights the complex bonding landscape inherent to cobalt-fluorine systems.

At a glance

Key Properties

Cross-validated computational properties for CoF4, aggregated across 2 databases.

Band Gap

1.61 eV
Range across DFT structures

Energy Above Hull

0.008 eV/atom
Best (lowest) across sources

Stability

Near hull (likely stable)
1 DFT source

Structures

22
2 databases, 8 space groups
Synthesis

Synthesis Routes

Literature-extracted synthesis procedures targeting CoF4.

Solid State
Procedure available · ceder_solid_state
Uses

Applications

Where CoF4 is used.

Fundamental solid-state researchHigh-oxidation state transition metal chemistryFluorination reagent studies
Reference

Frequently Asked Questions

Common questions about CoF4, answered from cross-validated data.

What is CoF4?

CoF4 is a semiconducting cobalt fluoride compound that is considered a near-hull phase with potential for synthesis in specialized chemical environments.

More questions
What is CoF4 used for?
CoF4 is used in fundamental solid-state research, high-oxidation state transition metal chemistry, and fluorination reagent studies.
What is the band gap of CoF4?
CoF4 has a DFT-computed band gap of 1.61 eV across 22 reported structures.
Is CoF4 a metal, semiconductor, or insulator?
With a band gap up to 1.61 eV it is a semiconductor.
Is CoF4 thermodynamically stable?
CoF4 has a lowest energy above hull of 0.008 eV/atom (near hull (likely stable)).
How many polymorphs of CoF4 are known?
22 structures of CoF4 are reported across 2 databases, spanning 8 distinct space groups.
How is CoF4 synthesized?
Literature-reported routes for CoF4 include solid state.
What elements does CoF4 contain?
CoF4 contains Co and F (2 elements).
Where does the data for CoF4 come from?
CoF4 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a specialized cobalt fluoride, CoF4 occupies a distinct niche in inorganic chemistry where high-valence transition metal halides are explored for their unique electronic and magnetic behaviors. Unlike more common lower-valence cobalt fluorides, this compound represents a more challenging synthetic target, serving as an important subject for understanding the limits of structural stability in metal-fluorine frameworks.

Data sources & attribution
  • latticegraph — Lattice Graph Materials Intelligence Platform

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