LiHoO2

LiHoO2 is a thermodynamically stable, insulating lithium holmium oxide used primarily in fundamental materials research.

Crystal structure of LiHoO2
Ground-state structure · Materials Project
Overview

About LiHoO2

LiHoO2 is a stable member of the lithium oxide family, characterized by its insulating electronic nature. As a compound that sits on the convex hull, it exhibits significant thermodynamic stability, making it a subject of interest in structural materials research. Its composition of lithium, holmium, and oxygen allows for diverse structural configurations, with multiple distinct phases documented across scientific databases. This structural variety highlights the complexity of lithium-based oxides in solid-state chemistry. These materials are essential for understanding ionic transport and magnetic interactions in complex oxide systems, serving as building blocks for specialized electronic and magnetic applications.

At a glance

Key Properties

Cross-validated computational properties for LiHoO2, aggregated across 3 databases.

Band Gap

4.39 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

7
3 databases, 2 space groups
Uses

Applications

Where LiHoO2 is used.

Solid-state materials researchMagnetic property studiesFundamental crystallographic analysis
Reference

Frequently Asked Questions

Common questions about LiHoO2, answered from cross-validated data.

What is LiHoO2?

LiHoO2 is a thermodynamically stable, insulating lithium holmium oxide used primarily in fundamental materials research.

More questions
What is LiHoO2 used for?
LiHoO2 is used in solid-state materials research, magnetic property studies, and fundamental crystallographic analysis.
What is the band gap of LiHoO2?
LiHoO2 has a DFT-computed band gap of 4.39 eV across 7 reported structures.
Is LiHoO2 a metal, semiconductor, or insulator?
With a wide band gap up to 4.39 eV it is an insulator / wide-band-gap material.
Is LiHoO2 thermodynamically stable?
Yes — LiHoO2 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
How many polymorphs of LiHoO2 are known?
7 structures of LiHoO2 are reported across 3 databases, spanning 2 distinct space groups.
What elements does LiHoO2 contain?
LiHoO2 contains Ho, Li, and O (3 elements).
Where does the data for LiHoO2 come from?
LiHoO2 data is cross-referenced from latticegraph.
Comparison

How It Compares

Within the lithium oxides class.

Unlike the widely utilized battery cathode materials such as LiCoO2, LiNiO2, or LiMn2O4, which are prized for their electrochemical activity and redox-active transition metals, LiHoO2 is primarily studied for its structural stability and the unique magnetic properties contributed by the lanthanide holmium ion.

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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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