LiCu2F5

LiCu2F5 is a metastable, semiconducting fluoride compound composed of lithium, copper, and fluorine.

CuFLi
Crystal structure of LiCu2F5
Ground-state structure · Materials Project
Overview

About LiCu2F5

LiCu2F5 is a complex fluoride material characterized by its semiconducting electronic nature. As a metastable compound, it represents a unique structural arrangement of lithium, copper, and fluorine atoms that exists in a delicate equilibrium within the solid state.

Its significance lies in its structural diversity, with multiple reported configurations documented in materials databases. This variability makes it a subject of interest for researchers investigating the fundamental properties of copper-based fluorides and their potential for specialized electronic applications.

At a glance

Key Properties

Cross-validated computational properties for LiCu2F5, aggregated across 2 databases.

Band Gap

0.27–0.70 eV
Range across DFT structures

Energy Above Hull

0.035 eV/atom
Best (lowest) across sources

Stability

Metastable
1 DFT source

Structures

13
2 databases, 4 space groups
Uses

Applications

Where LiCu2F5 is used.

Materials science researchSolid-state chemistry studies
Reference

Frequently Asked Questions

Common questions about LiCu2F5, answered from cross-validated data.

What is LiCu2F5?

LiCu2F5 is a metastable, semiconducting fluoride compound composed of lithium, copper, and fluorine.

More questions
What is LiCu2F5 used for?
LiCu2F5 is used in materials science research and solid-state chemistry studies.
What is the band gap of LiCu2F5?
LiCu2F5 has a DFT-computed band gap of 0.27–0.70 eV across 13 reported structures.
Is LiCu2F5 a metal, semiconductor, or insulator?
With a band gap up to 0.70 eV it is a semiconductor.
Is LiCu2F5 thermodynamically stable?
LiCu2F5 has a lowest energy above hull of 0.035 eV/atom (metastable).
How many polymorphs of LiCu2F5 are known?
13 structures of LiCu2F5 are reported across 2 databases, spanning 4 distinct space groups.
What elements does LiCu2F5 contain?
LiCu2F5 contains Cu, F, and Li (3 elements).
Where does the data for LiCu2F5 come from?
LiCu2F5 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a standalone entry in this specific structural context, LiCu2F5 serves as a primary reference point for understanding the behavior of metastable copper-lithium fluorides, highlighting the complex phase space available to these ternary systems.

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

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