LiScO2

LiScO2 is a thermodynamically stable, insulating lithium oxide ceramic known for its diverse structural arrangements.

Crystal structure of LiScO2
Ground-state structure · Materials Project
Overview

About LiScO2

LiScO2 is a thermodynamically stable member of the lithium oxide family, characterized by its wide-band-gap insulating electronic profile. Its position on the convex hull indicates a robust structural integrity that makes it a subject of interest for fundamental materials research. The compound exhibits significant structural diversity, with multiple reported configurations across various databases. This structural flexibility highlights its potential as a model system for understanding lithium-ion coordination in oxide environments.

At a glance

Key Properties

Cross-validated computational properties for LiScO2, aggregated across 3 databases.

Band Gap

3.90 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

5
3 databases, 2 space groups
Synthesis

Synthesis Routes

Literature-extracted synthesis procedures targeting LiScO2.

Solid State
Procedure available · ceder_solid_state
Uses

Applications

Where LiScO2 is used.

Solid-state electrolyte researchFundamental materials scienceCeramic substrate development
Reference

Frequently Asked Questions

Common questions about LiScO2, answered from cross-validated data.

What is LiScO2?

LiScO2 is a thermodynamically stable, insulating lithium oxide ceramic known for its diverse structural arrangements.

More questions
What is LiScO2 used for?
LiScO2 is used in solid-state electrolyte research, fundamental materials science, and ceramic substrate development.
What is the band gap of LiScO2?
LiScO2 has a DFT-computed band gap of 3.90 eV across 5 reported structures.
Is LiScO2 a metal, semiconductor, or insulator?
With a wide band gap up to 3.90 eV it is an insulator / wide-band-gap material.
Is LiScO2 thermodynamically stable?
Yes — LiScO2 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
How many polymorphs of LiScO2 are known?
5 structures of LiScO2 are reported across 3 databases, spanning 2 distinct space groups.
How is LiScO2 synthesized?
Literature-reported routes for LiScO2 include solid state.
What elements does LiScO2 contain?
LiScO2 contains Li, O, and Sc (3 elements).
Where does the data for LiScO2 come from?
LiScO2 data is cross-referenced from latticegraph.
Comparison

How It Compares

Within the lithium oxides class.

Unlike the electrochemically active cathode materials in its class such as LiCoO2, LiNiO2, or LiMn2O4, LiScO2 functions primarily as a stable insulating oxide. While its siblings are frequently utilized for their redox properties in energy storage, LiScO2 serves as a structural analog that provides insight into the stability limits of lithium-containing ternary oxides.

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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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