LiCuF2

LiCuF2 is a metastable semiconducting compound composed of lithium, copper, and fluorine.

CuFLi
Crystal structure of LiCuF2
Ground-state structure · Materials Project
Overview

About LiCuF2

LiCuF2 is a complex fluoride compound characterized by its semiconducting electronic nature. As a metastable phase, it represents a unique configuration within the broader landscape of lithium-copper-fluorine chemistry, offering researchers a distinct structural profile for investigation.

Its significance lies in its potential role in advanced materials research where specific electronic behaviors are required. Given its metastable status, it serves as an intriguing subject for studies focused on phase stability and the synthesis of unconventional inorganic compounds.

At a glance

Key Properties

Cross-validated computational properties for LiCuF2, aggregated across 3 databases.

Band Gap

1.74–1.89 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, 3 space groups
Uses

Applications

Where LiCuF2 is used.

Materials science researchSolid-state chemistry studiesFundamental electronic property investigation
Reference

Frequently Asked Questions

Common questions about LiCuF2, answered from cross-validated data.

What is LiCuF2?

LiCuF2 is a metastable semiconducting compound composed of lithium, copper, and fluorine.

More questions
What is LiCuF2 used for?
LiCuF2 is used in materials science research, solid-state chemistry studies, and fundamental electronic property investigation.
What is the band gap of LiCuF2?
LiCuF2 has a DFT-computed band gap of 1.74–1.89 eV across 12 reported structures.
Is LiCuF2 a metal, semiconductor, or insulator?
With a band gap up to 1.89 eV it is a semiconductor.
Is LiCuF2 thermodynamically stable?
LiCuF2 has a lowest energy above hull of 0.045 eV/atom (metastable).
How many polymorphs of LiCuF2 are known?
12 structures of LiCuF2 are reported across 3 databases, spanning 3 distinct space groups.
What elements does LiCuF2 contain?
LiCuF2 contains Cu, F, and Li (3 elements).
Where does the data for LiCuF2 come from?
LiCuF2 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a unique inorganic compound, LiCuF2 occupies a specialized niche in materials science. Without direct structural siblings, it stands as a distinct entry that highlights the diversity of ternary fluorides and the complexity of synthesizing metastable phases in this chemical family.

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

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