Li2Cu3F8

Li2Cu3F8 is a metastable semiconducting fluoride compound composed of lithium, copper, and fluorine.

CuFLi
Crystal structure of Li2Cu3F8
Ground-state structure · Materials Project
Overview

About Li2Cu3F8

Li2Cu3F8 is a complex fluoride compound characterized by its semiconducting electronic nature. As a metastable material, it represents a unique structural arrangement of lithium, copper, and fluorine atoms that exists outside of the most common thermodynamic ground states.

Its significance lies in its structural diversity, with multiple reported configurations documented across material databases. This variability suggests that Li2Cu3F8 may offer interesting pathways for tuning physical properties in specialized electronic or electrochemical applications.

At a glance

Key Properties

Cross-validated computational properties for Li2Cu3F8, aggregated across 3 databases.

Band Gap

0.02–0.36 eV
Range across DFT structures

Energy Above Hull

0.039 eV/atom
Best (lowest) across sources

Stability

Metastable
2 DFT sources

Structures

15
3 databases, 4 space groups
Uses

Applications

Where Li2Cu3F8 is used.

Materials science researchSolid-state chemistry studiesFundamental electronic property investigation
Reference

Frequently Asked Questions

Common questions about Li2Cu3F8, answered from cross-validated data.

What is Li2Cu3F8?

Li2Cu3F8 is a metastable semiconducting fluoride compound composed of lithium, copper, and fluorine.

More questions
What is Li2Cu3F8 used for?
Li2Cu3F8 is used in materials science research, solid-state chemistry studies, and fundamental electronic property investigation.
What is the band gap of Li2Cu3F8?
Li2Cu3F8 has a DFT-computed band gap of 0.02–0.36 eV across 15 reported structures.
Is Li2Cu3F8 a metal, semiconductor, or insulator?
With a band gap up to 0.36 eV it is a semiconductor.
Is Li2Cu3F8 thermodynamically stable?
Li2Cu3F8 has a lowest energy above hull of 0.039 eV/atom (metastable).
How many polymorphs of Li2Cu3F8 are known?
15 structures of Li2Cu3F8 are reported across 3 databases, spanning 4 distinct space groups.
What elements does Li2Cu3F8 contain?
Li2Cu3F8 contains Cu, F, and Li (3 elements).
Where does the data for Li2Cu3F8 come from?
Li2Cu3F8 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a unique fluoride phase, Li2Cu3F8 occupies a distinct niche in materials science where its metastability makes it a subject of interest for researchers studying non-equilibrium synthesis and structural phase transitions in ternary metal-fluoride systems.

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

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