LiFeF3

LiFeF3 is a stable, wide-gap insulating fluoride compound that is frequently documented in structural databases.

FFeLi
Crystal structure of LiFeF3
Ground-state structure · Materials Project
Overview

About LiFeF3

LiFeF3 is a fluoride-based compound characterized by its wide-gap insulating electronic profile. Its structural configuration places it in a favorable thermodynamic position, suggesting it is a viable candidate for synthesis and experimental investigation.

With a significant number of structures documented across major materials databases, this compound serves as a valuable reference point for researchers studying transition metal fluorides. Its stability and insulating nature make it a compelling subject for exploring fundamental solid-state chemistry.

At a glance

Key Properties

Cross-validated computational properties for LiFeF3, aggregated across 3 databases.

Band Gap

0.01–4.39 eV
Range across DFT structures

Energy Above Hull

0.023 eV/atom
Best (lowest) across sources

Stability

Near hull (likely stable)
2 DFT sources

Structures

80
3 databases, 27 space groups
Uses

Applications

Where LiFeF3 is used.

Solid-state researchFundamental materials science studies
Reference

Frequently Asked Questions

Common questions about LiFeF3, answered from cross-validated data.

What is LiFeF3?

LiFeF3 is a stable, wide-gap insulating fluoride compound that is frequently documented in structural databases.

More questions
What is LiFeF3 used for?
LiFeF3 is used in solid-state research and fundamental materials science studies.
What is the band gap of LiFeF3?
LiFeF3 has a DFT-computed band gap of 0.01–4.39 eV across 80 reported structures.
Is LiFeF3 a metal, semiconductor, or insulator?
With a wide band gap up to 4.39 eV it is an insulator / wide-band-gap material.
Is LiFeF3 thermodynamically stable?
LiFeF3 has a lowest energy above hull of 0.023 eV/atom (near hull (likely stable)).
How many polymorphs of LiFeF3 are known?
80 structures of LiFeF3 are reported across 3 databases, spanning 27 distinct space groups.
What elements does LiFeF3 contain?
LiFeF3 contains F, Fe, and Li (3 elements).
Where does the data for LiFeF3 come from?
LiFeF3 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a distinct fluoride material, LiFeF3 occupies a unique space in materials science, serving as a foundational example of a near-hull stable insulating compound within its chemical family.

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

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