Li6CuF8

Li6CuF8 is a metastable semiconducting compound composed of lithium, copper, and fluorine.

CuFLi
Crystal structure of Li6CuF8
Ground-state structure · Materials Project
Overview

About Li6CuF8

Li6CuF8 is a complex fluoride compound characterized by its semiconducting electronic nature. As a metastable phase, it represents a specialized configuration within the broader landscape of lithium-copper-fluorine systems, offering researchers a unique subject for studying phase transitions and stability in inorganic materials.

Its significance lies in the intricate arrangement of its constituent elements, which dictates its electronic behavior. While it remains a subject of ongoing investigation, its existence as a distinct structural entity provides valuable insights into the synthesis and characterization of metastable fluorides.

At a glance

Key Properties

Cross-validated computational properties for Li6CuF8, aggregated across 3 databases.

Band Gap

0.46 eV
Range across DFT structures

Energy Above Hull

0.036 eV/atom
Best (lowest) across sources

Stability

Metastable
2 DFT sources

Structures

10
3 databases, 2 space groups
Reference

Frequently Asked Questions

Common questions about Li6CuF8, answered from cross-validated data.

What is Li6CuF8?

Li6CuF8 is a metastable semiconducting compound composed of lithium, copper, and fluorine.

More questions
What is the band gap of Li6CuF8?
Li6CuF8 has a DFT-computed band gap of 0.46 eV across 10 reported structures.
Is Li6CuF8 a metal, semiconductor, or insulator?
With a band gap up to 0.46 eV it is a semiconductor.
Is Li6CuF8 thermodynamically stable?
Li6CuF8 has a lowest energy above hull of 0.036 eV/atom (metastable).
How many polymorphs of Li6CuF8 are known?
10 structures of Li6CuF8 are reported across 3 databases, spanning 2 distinct space groups.
What elements does Li6CuF8 contain?
Li6CuF8 contains Cu, F, and Li (3 elements).
Where does the data for Li6CuF8 come from?
Li6CuF8 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a unique inorganic compound, Li6CuF8 occupies a specialized niche in materials science. Without direct structural siblings, it serves as a distinct point of reference for understanding how lithium and copper ions coordinate with fluorine to form stable or metastable semiconducting frameworks.

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

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