FeF4

FeF4 is a semiconducting iron fluoride compound that exists in a metastable state, serving as a significant subject for structural research in inorganic chemistry.

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Crystal structure of FeF4
Ground-state structure · Materials Project
Overview

About FeF4

FeF4 is a binary fluoride compound composed of iron and fluorine. As a semiconducting material, it represents a specialized chemical system that has been the subject of extensive structural investigation across various crystallographic databases.

Due to its position above the thermodynamic hull, this compound is considered metastable, making it a focus for researchers studying high-energy pathways and phase stabilization. Its electronic properties and structural complexity provide valuable insights into the behavior of transition metal fluorides.

At a glance

Key Properties

Cross-validated computational properties for FeF4, aggregated across 2 databases.

Band Gap

1.65 eV
Range across DFT structures

Energy Above Hull

0.201 eV/atom
Best (lowest) across sources

Stability

Above hull
1 DFT source

Structures

43
2 databases, 13 space groups
Uses

Applications

Where FeF4 is used.

Fundamental materials science researchCrystallographic studiesSolid-state chemistry modeling
Reference

Frequently Asked Questions

Common questions about FeF4, answered from cross-validated data.

What is FeF4?

FeF4 is a semiconducting iron fluoride compound that exists in a metastable state, serving as a significant subject for structural research in inorganic chemistry.

More questions
What is FeF4 used for?
FeF4 is used in fundamental materials science research, crystallographic studies, and solid-state chemistry modeling.
What is the band gap of FeF4?
FeF4 has a DFT-computed band gap of 1.65 eV across 43 reported structures.
Is FeF4 a metal, semiconductor, or insulator?
With a band gap up to 1.65 eV it is a semiconductor.
Is FeF4 thermodynamically stable?
FeF4 has a lowest energy above hull of 0.201 eV/atom (above hull).
How many polymorphs of FeF4 are known?
43 structures of FeF4 are reported across 2 databases, spanning 13 distinct space groups.
What elements does FeF4 contain?
FeF4 contains F and Fe (2 elements).
Where does the data for FeF4 come from?
FeF4 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a unique transition metal fluoride, FeF4 serves as an important case study for understanding the structural diversity of iron-based halides, particularly in instances where thermodynamic stability is limited.

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

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