Li5CuF8

Li5CuF8 is a semiconducting lithium copper fluoride compound that is considered a promising target for laboratory synthesis due to its favorable thermodynamic stability.

CuFLi
Crystal structure of Li5CuF8
Ground-state structure · Materials Project
Overview

About Li5CuF8

Li5CuF8 is a semiconducting fluoride compound characterized by its unique structural arrangement of lithium, copper, and fluorine atoms. Its positioning as a near-hull material suggests that it is thermodynamically accessible, making it a viable candidate for experimental synthesis and characterization within solid-state chemistry.

As a material with multiple reported structural configurations across databases, it represents a significant point of study for understanding complex ternary fluoride systems. Its electronic properties and structural flexibility provide a foundation for exploring potential applications in ion-conducting materials and specialized electrochemical devices.

At a glance

Key Properties

Cross-validated computational properties for Li5CuF8, aggregated across 3 databases.

Band Gap

0.77–0.97 eV
Range across DFT structures

Energy Above Hull

0.007 eV/atom
Best (lowest) across sources

Stability

Near hull (likely stable)
2 DFT sources

Structures

10
3 databases, 2 space groups
Uses

Applications

Where Li5CuF8 is used.

Solid-state ionics researchElectrochemical material developmentFundamental condensed matter physics
Reference

Frequently Asked Questions

Common questions about Li5CuF8, answered from cross-validated data.

What is Li5CuF8?

Li5CuF8 is a semiconducting lithium copper fluoride compound that is considered a promising target for laboratory synthesis due to its favorable thermodynamic stability.

More questions
What is Li5CuF8 used for?
Li5CuF8 is used in solid-state ionics research, electrochemical material development, and fundamental condensed matter physics.
What is the band gap of Li5CuF8?
Li5CuF8 has a DFT-computed band gap of 0.77–0.97 eV across 10 reported structures.
Is Li5CuF8 a metal, semiconductor, or insulator?
With a band gap up to 0.97 eV it is a semiconductor.
Is Li5CuF8 thermodynamically stable?
Li5CuF8 has a lowest energy above hull of 0.007 eV/atom (near hull (likely stable)).
How many polymorphs of Li5CuF8 are known?
10 structures of Li5CuF8 are reported across 3 databases, spanning 2 distinct space groups.
What elements does Li5CuF8 contain?
Li5CuF8 contains Cu, F, and Li (3 elements).
Where does the data for Li5CuF8 come from?
Li5CuF8 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a distinct ternary fluoride, Li5CuF8 occupies a specialized niche in materials science where its semiconducting nature and near-hull stability distinguish it from more common, highly insulating binary fluorides. It serves as a representative example of how transition metal incorporation can tune the electronic behavior of lithium-rich fluoride frameworks.

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

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