Li3CuF5

Li3CuF5 is a metastable semiconducting compound composed of lithium, copper, and fluorine.

CuFLi
Crystal structure of Li3CuF5
Ground-state structure · Materials Project
Overview

About Li3CuF5

Li3CuF5 is a complex ternary fluoride that exhibits semiconducting electronic behavior. As a metastable phase, it represents a specialized configuration within the broader landscape of lithium-copper-fluorine systems, providing researchers with insights into the structural diversity of transition metal fluorides.

Its existence is documented across multiple structural databases, highlighting its significance in fundamental materials science. While it remains a niche compound, its specific atomic arrangement offers a unique case study for understanding the stability and electronic properties of metastable inorganic fluorides.

At a glance

Key Properties

Cross-validated computational properties for Li3CuF5, aggregated across 3 databases.

Band Gap

0.63 eV
Range across DFT structures

Energy Above Hull

0.073 eV/atom
Best (lowest) across sources

Stability

Metastable
2 DFT sources

Structures

5
3 databases, 1 space group
Uses

Applications

Where Li3CuF5 is used.

Fundamental materials science researchSolid-state chemistry studies
Reference

Frequently Asked Questions

Common questions about Li3CuF5, answered from cross-validated data.

What is Li3CuF5?

Li3CuF5 is a metastable semiconducting compound composed of lithium, copper, and fluorine.

More questions
What is Li3CuF5 used for?
Li3CuF5 is used in fundamental materials science research and solid-state chemistry studies.
What is the band gap of Li3CuF5?
Li3CuF5 has a DFT-computed band gap of 0.63 eV across 5 reported structures.
Is Li3CuF5 a metal, semiconductor, or insulator?
With a band gap up to 0.63 eV it is a semiconductor.
Is Li3CuF5 thermodynamically stable?
Li3CuF5 has a lowest energy above hull of 0.073 eV/atom (metastable).
How many polymorphs of Li3CuF5 are known?
5 structures of Li3CuF5 are reported across 3 databases, spanning 1 distinct space group.
What elements does Li3CuF5 contain?
Li3CuF5 contains Cu, F, and Li (3 elements).
Where does the data for Li3CuF5 come from?
Li3CuF5 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a metastable semiconducting fluoride, Li3CuF5 occupies a distinct position in materials research, serving as a specialized subject for those investigating the limits of phase stability in ternary metal fluoride systems.

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

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