Cu1Li2Zn1

Cu1Li2Zn1 is a semiconducting ternary material containing copper, lithium, and zinc that is considered likely unstable due to its position above the thermodynamic hull.

CuLiZn
Crystal structure of Cu1Li2Zn1
Ground-state structure · Materials Project
Overview

About Cu1Li2Zn1

Cu1Li2Zn1 is a ternary compound composed of copper, lithium, and zinc. As a semiconducting material, it exhibits distinct electronic properties that differentiate it from simple metallic alloys or pure elemental insulators. Its structural complexity is evidenced by a significant number of reported configurations within material databases. The compound is characterized as being above the thermodynamic hull, suggesting that it is likely unstable under standard conditions. This metastability makes it a subject of interest for researchers investigating phase formation and the limits of structural stability in multinary systems.

At a glance

Key Properties

Cross-validated computational properties for Cu1Li2Zn1, aggregated across 2 databases.

Band Gap

0.56 eV
Range across DFT structures

Energy Above Hull

1.176 eV/atom
Best (lowest) across sources

Stability

Above hull
1 DFT source

Structures

27
2 databases, 18 space groups
Reference

Frequently Asked Questions

Common questions about Cu1Li2Zn1, answered from cross-validated data.

What is Cu1Li2Zn1?

Cu1Li2Zn1 is a semiconducting ternary material containing copper, lithium, and zinc that is considered likely unstable due to its position above the thermodynamic hull.

More questions
What is the band gap of Cu1Li2Zn1?
Cu1Li2Zn1 has a DFT-computed band gap of 0.56 eV across 27 reported structures.
Is Cu1Li2Zn1 a metal, semiconductor, or insulator?
With a band gap up to 0.56 eV it is a semiconductor.
Is Cu1Li2Zn1 thermodynamically stable?
Cu1Li2Zn1 has a lowest energy above hull of 1.176 eV/atom (above hull).
How many polymorphs of Cu1Li2Zn1 are known?
27 structures of Cu1Li2Zn1 are reported across 2 databases, spanning 18 distinct space groups.
What elements does Cu1Li2Zn1 contain?
Cu1Li2Zn1 contains Cu, Li, and Zn (3 elements).
Where does the data for Cu1Li2Zn1 come from?
Cu1Li2Zn1 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a unique ternary phase, Cu1Li2Zn1 serves as an example of the complex compositional space available when combining transition metals with alkali elements. While it lacks direct siblings in this specific classification, its existence highlights the challenges of stabilizing such intermetallic structures compared to more robust, thermodynamically favored compounds.

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

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