Cs6I8Li2

Cs6I8Li2 is a wide-gap insulating solid composed of cesium, iodine, and lithium that is predicted to be thermodynamically accessible.

CsILi
Crystal structure of Cs6I8Li2
Ground-state structure · Materials Project
Overview

About Cs6I8Li2

Cs6I8Li2 is a complex inorganic compound composed of cesium, iodine, and lithium. As a wide-gap insulator, it exhibits electronic properties characteristic of highly stable ionic lattices, making it a subject of interest for fundamental solid-state research.

The compound is identified as being near the thermodynamic hull, which suggests that it is likely synthesizable under appropriate experimental conditions. Its structural profile contributes to the broader understanding of multi-component alkali halide frameworks.

At a glance

Key Properties

Cross-validated computational properties for Cs6I8Li2, aggregated across 3 databases.

Band Gap

3.99 eV
Range across DFT structures

Energy Above Hull

0.018 eV/atom
Best (lowest) across sources

Stability

Near hull (likely stable)
2 DFT sources

Structures

3
3 databases, 1 space group
Reference

Frequently Asked Questions

Common questions about Cs6I8Li2, answered from cross-validated data.

What is Cs6I8Li2?

Cs6I8Li2 is a wide-gap insulating solid composed of cesium, iodine, and lithium that is predicted to be thermodynamically accessible.

More questions
What is the band gap of Cs6I8Li2?
Cs6I8Li2 has a DFT-computed band gap of 3.99 eV across 3 reported structures.
Is Cs6I8Li2 a metal, semiconductor, or insulator?
With a wide band gap up to 3.99 eV it is an insulator / wide-band-gap material.
Is Cs6I8Li2 thermodynamically stable?
Cs6I8Li2 has a lowest energy above hull of 0.018 eV/atom (near hull (likely stable)).
How many polymorphs of Cs6I8Li2 are known?
3 structures of Cs6I8Li2 are reported across 3 databases, spanning 1 distinct space group.
What elements does Cs6I8Li2 contain?
Cs6I8Li2 contains Cs, I, and Li (3 elements).
Where does the data for Cs6I8Li2 come from?
Cs6I8Li2 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a unique multi-component alkali halide, Cs6I8Li2 occupies a specialized niche in materials science. While many simple alkali halides are well-characterized, this compound represents a more complex stoichiometry that pushes the boundaries of conventional ionic structure-property relationships.

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

Analyze Cs6I8Li2 in the Lattice Graph platform

Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 53 integrated data sources.

Explore the Platform →