Li12O24Se6

Li12O24Se6 is a thermodynamically stable, wide-band-gap insulating compound composed of lithium, oxygen, and selenium.

Crystal structure of Li12O24Se6
Ground-state structure · Materials Project
Overview

About Li12O24Se6

Li12O24Se6 is a complex lithium oxide compound that sits firmly on the thermodynamic convex hull, indicating high structural stability. As a wide-band-gap insulator, it represents a specialized member of the lithium oxide family, characterized by its intricate atomic arrangement and significant data presence across multiple material databases.

The compound is of particular interest to researchers studying the fundamental properties of lithium-based insulators. Its stable configuration and distinct electronic profile make it a valuable reference point for understanding how selenium integration influences the broader class of lithium oxide materials.

At a glance

Key Properties

Cross-validated computational properties for Li12O24Se6, aggregated across 3 databases.

Band Gap

0.51–3.91 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

13
3 databases, 3 space groups
Uses

Applications

Where Li12O24Se6 is used.

Fundamental materials researchSolid-state electrolyte modelingLithium-based dielectric studies
Reference

Frequently Asked Questions

Common questions about Li12O24Se6, answered from cross-validated data.

What is Li12O24Se6?

Li12O24Se6 is a thermodynamically stable, wide-band-gap insulating compound composed of lithium, oxygen, and selenium.

More questions
What is Li12O24Se6 used for?
Li12O24Se6 is used in fundamental materials research, solid-state electrolyte modeling, and lithium-based dielectric studies.
What is the band gap of Li12O24Se6?
Li12O24Se6 has a DFT-computed band gap of 0.51–3.91 eV across 13 reported structures.
Is Li12O24Se6 a metal, semiconductor, or insulator?
With a wide band gap up to 3.91 eV it is an insulator / wide-band-gap material.
Is Li12O24Se6 thermodynamically stable?
Yes — Li12O24Se6 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
How many polymorphs of Li12O24Se6 are known?
13 structures of Li12O24Se6 are reported across 3 databases, spanning 3 distinct space groups.
What elements does Li12O24Se6 contain?
Li12O24Se6 contains Li, O, and Se (3 elements).
Where does the data for Li12O24Se6 come from?
Li12O24Se6 data is cross-referenced from latticegraph.
Comparison

How It Compares

Within the lithium oxides class.

Unlike the widely utilized cathode materials LiCoO2 and LiMn2O4, which are known for their electrochemical activity and metallic-like conductivity in certain states, Li12O24Se6 functions primarily as a stable insulator. While siblings like Li2O serve as foundational binary oxides, this compound offers a more complex structural landscape, positioning it as a distinct, specialized entity within the diverse lithium oxide class.

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Related Compounds

Other Lithium Oxides in the database.

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

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