I4Li4O16

I4Li4O16 is a metastable semiconducting lithium oxide compound that contributes to the structural diversity of the lithium oxide material class.

Crystal structure of I4Li4O16
Ground-state structure · Materials Project
Overview

About I4Li4O16

I4Li4O16 is a complex lithium oxide characterized by its semiconducting electronic nature. As a metastable phase, it represents a unique structural arrangement within the lithium-iodine-oxygen system, offering insights into the diverse bonding environments possible in lithium-based oxides.

This compound is of interest to researchers studying the fundamental properties of lithium-rich oxides. Its existence as a metastable structure highlights the complexity of phase formation in these materials, which are essential for understanding ion mobility and structural stability in advanced electrochemical systems.

At a glance

Key Properties

Cross-validated computational properties for I4Li4O16, aggregated across 3 databases.

Band Gap

2.07–2.28 eV
Range across DFT structures

Energy Above Hull

0.037 eV/atom
Best (lowest) across sources

Stability

Metastable
2 DFT sources

Structures

4
3 databases, 1 space group
Reference

Frequently Asked Questions

Common questions about I4Li4O16, answered from cross-validated data.

What is I4Li4O16?

I4Li4O16 is a metastable semiconducting lithium oxide compound that contributes to the structural diversity of the lithium oxide material class.

More questions
What is the band gap of I4Li4O16?
I4Li4O16 has a DFT-computed band gap of 2.07–2.28 eV across 4 reported structures.
Is I4Li4O16 a metal, semiconductor, or insulator?
With a band gap up to 2.28 eV it is a semiconductor.
Is I4Li4O16 thermodynamically stable?
I4Li4O16 has a lowest energy above hull of 0.037 eV/atom (metastable).
How many polymorphs of I4Li4O16 are known?
4 structures of I4Li4O16 are reported across 3 databases, spanning 1 distinct space group.
What elements does I4Li4O16 contain?
I4Li4O16 contains I, Li, and O (3 elements).
Where does the data for I4Li4O16 come from?
I4Li4O16 data is cross-referenced from latticegraph.
Comparison

How It Compares

Within the lithium oxides class.

Unlike the highly stable and widely utilized cathode materials such as LiCoO2, LiNiO2, and LiMn2O4, I4Li4O16 exists in a metastable state. While compounds like Li2O serve as fundamental building blocks in lithium oxide chemistry, I4Li4O16 represents a more specialized, less common structural variant that contrasts with the robust, commercially established oxides found in battery technologies.

Explore

Related Compounds

Other Lithium Oxides in the database.

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

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