Li2Cu2F5

Li2Cu2F5 is a metastable, semimetallic fluoride compound containing lithium and copper that is primarily studied for its distinct electronic properties.

CuFLi
Crystal structure of Li2Cu2F5
Ground-state structure · Materials Project
Overview

About Li2Cu2F5

Li2Cu2F5 is a complex fluoride compound characterized by its near-zero-gap electronic structure, placing it in the category of semimetallic materials. Its composition of lithium, copper, and fluorine creates a distinct chemical environment that has garnered interest in structural research.

As a metastable phase, this compound represents a delicate balance of atomic arrangements. Its existence across multiple structural databases highlights its significance as a subject of ongoing investigation in solid-state chemistry and materials science.

At a glance

Key Properties

Cross-validated computational properties for Li2Cu2F5, aggregated across 3 databases.

Band Gap

0.09 eV
Range across DFT structures

Energy Above Hull

0.045 eV/atom
Best (lowest) across sources

Stability

Metastable
2 DFT sources

Structures

12
3 databases, 5 space groups
Uses

Applications

Where Li2Cu2F5 is used.

Solid-state chemistry researchElectronic structure studiesMaterials science exploration
Reference

Frequently Asked Questions

Common questions about Li2Cu2F5, answered from cross-validated data.

What is Li2Cu2F5?

Li2Cu2F5 is a metastable, semimetallic fluoride compound containing lithium and copper that is primarily studied for its distinct electronic properties.

More questions
What is Li2Cu2F5 used for?
Li2Cu2F5 is used in solid-state chemistry research, electronic structure studies, and materials science exploration.
What is the band gap of Li2Cu2F5?
Li2Cu2F5 has a DFT-computed band gap of 0.09 eV across 12 reported structures.
Is Li2Cu2F5 a metal, semiconductor, or insulator?
With a near-zero band gap it behaves as a (semi)metal.
Is Li2Cu2F5 thermodynamically stable?
Li2Cu2F5 has a lowest energy above hull of 0.045 eV/atom (metastable).
How many polymorphs of Li2Cu2F5 are known?
12 structures of Li2Cu2F5 are reported across 3 databases, spanning 5 distinct space groups.
What elements does Li2Cu2F5 contain?
Li2Cu2F5 contains Cu, F, and Li (3 elements).
Where does the data for Li2Cu2F5 come from?
Li2Cu2F5 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a unique fluoride compound, Li2Cu2F5 occupies a specialized niche within inorganic materials science. While many fluorides act as wide-gap insulators, this compound stands out due to its semimetallic electronic character, offering a rare example of conductive behavior within this chemical family.

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

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