F4Fe4O12Se4

F4Fe4O12Se4 is a thermodynamically stable, semiconducting iron-based compound composed of iron, selenium, oxygen, and fluorine.

Crystal structure of F4Fe4O12Se4
Ground-state structure · Materials Project
Overview

About F4Fe4O12Se4

F4Fe4O12Se4 is a complex iron-based compound that occupies a stable position on the convex hull. Characterized by its semiconducting electronic behavior, this material represents a unique structural configuration within the broader family of iron-containing chalcogenides and oxy-compounds.

Its structural diversity is highlighted by multiple reported configurations, making it a subject of interest for fundamental materials science. By integrating iron with selenium, oxygen, and fluorine, this compound provides a distinct chemical environment that contrasts with simpler binary iron systems.

At a glance

Key Properties

Cross-validated computational properties for F4Fe4O12Se4, aggregated across 3 databases.

Band Gap

1.43 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
1 DFT source

Structures

9
3 databases, 2 space groups
Uses

Applications

Where F4Fe4O12Se4 is used.

Materials science researchSolid-state chemistry studiesFundamental electronic property investigation
Reference

Frequently Asked Questions

Common questions about F4Fe4O12Se4, answered from cross-validated data.

What is F4Fe4O12Se4?

F4Fe4O12Se4 is a thermodynamically stable, semiconducting iron-based compound composed of iron, selenium, oxygen, and fluorine.

More questions
What is F4Fe4O12Se4 used for?
F4Fe4O12Se4 is used in materials science research, solid-state chemistry studies, and fundamental electronic property investigation.
What is the band gap of F4Fe4O12Se4?
F4Fe4O12Se4 has a DFT-computed band gap of 1.43 eV across 9 reported structures.
Is F4Fe4O12Se4 a metal, semiconductor, or insulator?
With a band gap up to 1.43 eV it is a semiconductor.
Is F4Fe4O12Se4 thermodynamically stable?
Yes — F4Fe4O12Se4 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
How many polymorphs of F4Fe4O12Se4 are known?
9 structures of F4Fe4O12Se4 are reported across 3 databases, spanning 2 distinct space groups.
What elements does F4Fe4O12Se4 contain?
F4Fe4O12Se4 contains F, Fe, O, and Se (4 elements).
Where does the data for F4Fe4O12Se4 come from?
F4Fe4O12Se4 data is cross-referenced from latticegraph.
Comparison

How It Compares

Within the iron-based superconductors class.

While many members of the iron-based class, such as FeSe, are widely recognized for their superconducting properties, F4Fe4O12Se4 distinguishes itself through its semiconducting electronic character and complex quaternary composition. Unlike the simpler iron-arsenic or iron-tellurium binaries like FeAs2 or FeTe2, this compound incorporates oxygen and fluorine to achieve thermodynamic stability, positioning it as a specialized structural variant rather than a conventional metallic superconductor.

Explore

Related Compounds

Other Iron-Based Superconductors in the database.

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

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