Li3AsO4

lithium arsenate

Li3AsO4 is a stable, insulating lithium arsenate compound used primarily as a reference material in solid-state materials science research.

Crystal structure of Li3AsO4
Ground-state structure · Materials Project
Overview

About lithium arsenate

Li3AsO4 is a thermodynamically stable lithium oxide that functions as a wide-gap insulator. Its structural integrity is well-documented, with numerous reported configurations across major materials databases, highlighting its role as a significant subject in solid-state chemistry research.

As a member of the broader lithium oxide family, this compound serves as an important model for understanding ionic coordination and lattice stability. Its insulating character and stable nature make it a fundamental point of reference for researchers investigating the complex phase behaviors of lithium-based oxoanions.

At a glance

Key Properties

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

Band Gap

4.15 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

9
3 databases, 2 space groups
Uses

Applications

Where lithium arsenate is used.

Solid-state chemistry researchMaterials science reference compoundStructural phase studies
Reference

Frequently Asked Questions

Common questions about lithium arsenate, answered from cross-validated data.

What is Li3AsO4?

Li3AsO4 is a stable, insulating lithium arsenate compound used primarily as a reference material in solid-state materials science research.

More questions
What is Li3AsO4 used for?
lithium arsenate (Li3AsO4) is used in solid-state chemistry research, materials science reference compound, and structural phase studies.
What is the band gap of Li3AsO4?
lithium arsenate (Li3AsO4) has a DFT-computed band gap of 4.15 eV across 9 reported structures.
Is Li3AsO4 a metal, semiconductor, or insulator?
With a wide band gap up to 4.15 eV it is an insulator / wide-band-gap material.
Is Li3AsO4 thermodynamically stable?
Yes — lithium arsenate (Li3AsO4) sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
How many polymorphs of Li3AsO4 are known?
9 structures of Li3AsO4 are reported across 3 databases, spanning 2 distinct space groups.
What elements does Li3AsO4 contain?
lithium arsenate (Li3AsO4) contains As, Li, and O (3 elements).
Where does the data for Li3AsO4 come from?
Li3AsO4 data is cross-referenced from latticegraph.
Comparison

How It Compares

Within the lithium oxides class.

Unlike the electrochemically active lithium transition metal oxides such as LiCoO2, LiNiO2, and LiMn2O4, which are widely utilized for their redox properties in battery cathodes, Li3AsO4 is characterized by its insulating electronic state. While it shares the lithium-rich oxide classification with materials like Li2O and Li4SiO4, it stands apart due to the presence of the arsenate group, which dictates a distinct structural framework compared to the simpler binary or silicate-based lithium oxides.

Explore

Related Compounds

Other Lithium Oxides in the database.

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

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