FeCl4

FeCl4 is a thermodynamically stable, semiconducting iron-chloride compound frequently studied for its structural diversity.

ClFe
Crystal structure of FeCl4
Ground-state structure · Materials Project
Overview

About FeCl4

FeCl4 is a thermodynamically stable compound composed of iron and chlorine. As a semiconducting material, it represents an interesting subject for structural analysis, supported by a significant body of reported configurations across major material databases. Its stability on the convex hull suggests a well-defined chemical identity that warrants further investigation into its electronic properties.

This compound serves as a focal point for understanding iron-halide interactions and their influence on electronic behavior. Its presence in multiple structural databases highlights its importance in fundamental materials research, where its semiconducting nature is leveraged to explore complex solid-state phenomena.

At a glance

Key Properties

Cross-validated computational properties for FeCl4, aggregated across 3 databases.

Band Gap

0.25 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

35
3 databases, 10 space groups
Synthesis

Synthesis Routes

Literature-extracted synthesis procedures targeting FeCl4.

Sol Gel
Procedure available · ceder_sol_gel
Uses

Applications

Where FeCl4 is used.

Fundamental materials researchSolid-state electronic studiesIron-halide coordination chemistry
Reference

Frequently Asked Questions

Common questions about FeCl4, answered from cross-validated data.

What is FeCl4?

FeCl4 is a thermodynamically stable, semiconducting iron-chloride compound frequently studied for its structural diversity.

More questions
What is FeCl4 used for?
FeCl4 is used in fundamental materials research, solid-state electronic studies, and iron-halide coordination chemistry.
What is the band gap of FeCl4?
FeCl4 has a DFT-computed band gap of 0.25 eV across 35 reported structures.
Is FeCl4 a metal, semiconductor, or insulator?
With a band gap up to 0.25 eV it is a semiconductor.
Is FeCl4 thermodynamically stable?
Yes — FeCl4 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
How many polymorphs of FeCl4 are known?
35 structures of FeCl4 are reported across 3 databases, spanning 10 distinct space groups.
How is FeCl4 synthesized?
Literature-reported routes for FeCl4 include sol gel.
What elements does FeCl4 contain?
FeCl4 contains Cl and Fe (2 elements).
Where does the data for FeCl4 come from?
FeCl4 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a unique entry in this chemical space, FeCl4 stands as a stable benchmark for iron-chlorine systems. Without direct structural siblings in this immediate class, it serves as a primary reference point for investigating how iron-halide stoichiometry influences semiconducting behavior and lattice stability.

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

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