Cl2LiNa

Cl2LiNa is a metastable, insulating ternary halide compound composed of lithium, sodium, and chlorine.

ClLiNa
Crystal structure of Cl2LiNa
Ground-state structure · Materials Project
Overview

About Cl2LiNa

Cl2LiNa is a complex halide compound characterized by its wide-band-gap insulating nature. As a metastable material, it represents a unique structural arrangement of lithium, sodium, and chlorine ions that exists outside of typical ground-state configurations.

Its electronic properties make it a subject of interest for researchers studying ion transport and dielectric behavior in multi-component halide systems. While not a common industrial material, its existence in multiple structural forms highlights the complexity of alkali metal halide interactions.

At a glance

Key Properties

Cross-validated computational properties for Cl2LiNa, aggregated across 3 databases.

Band Gap

5.41 eV
Range across DFT structures

Energy Above Hull

0.036 eV/atom
Best (lowest) across sources

Stability

Metastable
2 DFT sources

Structures

3
3 databases, 1 space group
Uses

Applications

Where Cl2LiNa is used.

Solid-state ionics researchFundamental materials science studiesDielectric property investigation
Reference

Frequently Asked Questions

Common questions about Cl2LiNa, answered from cross-validated data.

What is Cl2LiNa?

Cl2LiNa is a metastable, insulating ternary halide compound composed of lithium, sodium, and chlorine.

More questions
What is Cl2LiNa used for?
Cl2LiNa is used in solid-state ionics research, fundamental materials science studies, and dielectric property investigation.
What is the band gap of Cl2LiNa?
Cl2LiNa has a DFT-computed band gap of 5.41 eV across 3 reported structures.
Is Cl2LiNa a metal, semiconductor, or insulator?
With a wide band gap up to 5.41 eV it is an insulator / wide-band-gap material.
Is Cl2LiNa thermodynamically stable?
Cl2LiNa has a lowest energy above hull of 0.036 eV/atom (metastable).
How many polymorphs of Cl2LiNa are known?
3 structures of Cl2LiNa are reported across 3 databases, spanning 1 distinct space group.
What elements does Cl2LiNa contain?
Cl2LiNa contains Cl, Li, and Na (3 elements).
Where does the data for Cl2LiNa come from?
Cl2LiNa data is cross-referenced from latticegraph.
Comparison

How It Compares

As a metastable halide, Cl2LiNa occupies a specialized niche within the broader family of alkali metal halides. Unlike highly stable, naturally occurring binary halides, this ternary compound requires specific synthesis conditions to maintain its structural integrity, serving as a model for understanding phase instability in complex ionic lattices.

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

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