F10Fe4Li2

F10Fe4Li2 is a metastable, insulating fluoride compound containing lithium and iron that exhibits significant structural complexity.

FFeLi
Crystal structure of F10Fe4Li2
Ground-state structure · Materials Project
Overview

About F10Fe4Li2

F10Fe4Li2 is a complex fluoride compound composed of lithium, iron, and fluorine. As a wide-band-gap insulator, it exhibits distinct electronic behavior that sets it apart from typical metallic or semiconducting iron-based materials. Its structural diversity is highlighted by numerous reported configurations, reflecting a rich potential for exploration in solid-state chemistry.

Because this compound is classified as metastable, it occupies a unique position in phase space, requiring specific synthesis conditions to stabilize its structure. Its insulating nature and unique stoichiometry make it an intriguing subject for researchers studying the fundamental interactions between alkali metals and transition metal fluorides.

At a glance

Key Properties

Cross-validated computational properties for F10Fe4Li2, aggregated across 2 databases.

Band Gap

1.13–4.17 eV
Range across DFT structures

Energy Above Hull

0.041 eV/atom
Best (lowest) across sources

Stability

Metastable
1 DFT source

Structures

18
2 databases, 7 space groups
Reference

Frequently Asked Questions

Common questions about F10Fe4Li2, answered from cross-validated data.

What is F10Fe4Li2?

F10Fe4Li2 is a metastable, insulating fluoride compound containing lithium and iron that exhibits significant structural complexity.

More questions
What is the band gap of F10Fe4Li2?
F10Fe4Li2 has a DFT-computed band gap of 1.13–4.17 eV across 18 reported structures.
Is F10Fe4Li2 a metal, semiconductor, or insulator?
With a wide band gap up to 4.17 eV it is an insulator / wide-band-gap material.
Is F10Fe4Li2 thermodynamically stable?
F10Fe4Li2 has a lowest energy above hull of 0.041 eV/atom (metastable).
How many polymorphs of F10Fe4Li2 are known?
18 structures of F10Fe4Li2 are reported across 2 databases, spanning 7 distinct space groups.
What elements does F10Fe4Li2 contain?
F10Fe4Li2 contains F, Fe, and Li (3 elements).
Where does the data for F10Fe4Li2 come from?
F10Fe4Li2 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a unique fluoride phase, F10Fe4Li2 functions as a specialized member of the broader class of lithium-iron-fluorine compounds, where its metastable nature and insulating behavior differentiate it from more common, thermodynamically stable ternary fluorides.

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

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