LiCuF3

LiCuF3 is a semiconducting ternary fluoride compound that is considered theoretically synthesizable due to its favorable thermodynamic stability.

CuFLi
Crystal structure of LiCuF3
Ground-state structure · Materials Project
Overview

About LiCuF3

LiCuF3 is a ternary fluoride compound characterized by its semiconducting electronic structure. Its position near the thermodynamic stability hull suggests that it is a viable target for laboratory synthesis and further material characterization.

As a material with significant structural data available across multiple databases, it represents an intriguing subject for researchers studying copper-based fluorides. Its specific electronic properties and potential for structural versatility make it a noteworthy addition to the study of complex inorganic fluorides.

At a glance

Key Properties

Cross-validated computational properties for LiCuF3, aggregated across 3 databases.

Band Gap

0.15–1.35 eV
Range across DFT structures

Energy Above Hull

0.017 eV/atom
Best (lowest) across sources

Stability

Near hull (likely stable)
2 DFT sources

Structures

27
3 databases, 6 space groups
Uses

Applications

Where LiCuF3 is used.

Solid-state chemistry researchMaterials science explorationFundamental electronic property studies
Reference

Frequently Asked Questions

Common questions about LiCuF3, answered from cross-validated data.

What is LiCuF3?

LiCuF3 is a semiconducting ternary fluoride compound that is considered theoretically synthesizable due to its favorable thermodynamic stability.

More questions
What is LiCuF3 used for?
LiCuF3 is used in solid-state chemistry research, materials science exploration, and fundamental electronic property studies.
What is the band gap of LiCuF3?
LiCuF3 has a DFT-computed band gap of 0.15–1.35 eV across 27 reported structures.
Is LiCuF3 a metal, semiconductor, or insulator?
With a band gap up to 1.35 eV it is a semiconductor.
Is LiCuF3 thermodynamically stable?
LiCuF3 has a lowest energy above hull of 0.017 eV/atom (near hull (likely stable)).
How many polymorphs of LiCuF3 are known?
27 structures of LiCuF3 are reported across 3 databases, spanning 6 distinct space groups.
What elements does LiCuF3 contain?
LiCuF3 contains Cu, F, and Li (3 elements).
Where does the data for LiCuF3 come from?
LiCuF3 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a unique ternary fluoride, LiCuF3 occupies a distinct niche in the landscape of copper-containing materials, serving as a primary reference point for studying the interplay between lithium and copper in a fluoride lattice.

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

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