LiVO2

LiVO2 is a stable, semiconducting lithium oxide compound that serves as a valuable subject for research into next-generation electrochemical materials.

Crystal structure of LiVO2 (trigonal, R-3m (No. 166))
Ground-state structure · Materials Project
Overview

About LiVO2

LiVO2 is a thermodynamically stable member of the lithium oxide family that exhibits semiconducting electronic behavior. Its position on the convex hull suggests a robust structural integrity, making it a subject of significant interest for researchers investigating new electrode materials.

As a material with extensive structural data available, LiVO2 represents a versatile platform for studying ion transport and electronic properties. Its unique composition allows it to function within complex electrochemical systems, contributing to the broader understanding of lithium-based oxides in modern materials science.

At a glance

Key Properties

Cross-validated computational properties for LiVO2, aggregated across 3 databases.

Band Gap

0.02–1.57 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

44
3 databases, 12 space groups
Crystallography

Reported Structures

Lowest-energy structures reported for LiVO2, ranked by energy above hull.

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
R-3m (No. 166)trigonal0.000.0000-7.7164.25
P2/c (No. 13)monoclinic0.020.0106-7.7053.97
Fd-3m (No. 227)cubic1.540.0121-7.7044.25
I41/amd (No. 141)tetragonal0.000.0236-7.6924.01
Imma (No. 74)orthorhombic0.870.0268-7.6893.98
P222 (No. 16)orthorhombic1.420.0357-7.6804.01
P-1 (No. 2)triclinic1.270.0481-7.6683.93
P63mc (No. 186)hexagonal0.000.0499-7.6663.88
Cmc21 (No. 36)orthorhombic1.570.0509-7.6653.87
Imma (No. 74)orthorhombic1.460.0760-7.6403.84
P4/mmm (No. 123)tetragonal0.000.1442-7.5724.15
C2/m (No. 12)monoclinic0.740.3155-7.4003.95
Uses

Applications

Where LiVO2 is used.

Energy storage researchBattery electrode developmentSolid-state ionics
Reference

Frequently Asked Questions

Common questions about LiVO2, answered from cross-validated data.

What is LiVO2?

LiVO2 is a stable, semiconducting lithium oxide compound that serves as a valuable subject for research into next-generation electrochemical materials.

More questions
What is LiVO2 used for?
LiVO2 is used in energy storage research, battery electrode development, and solid-state ionics.
What is the band gap of LiVO2?
LiVO2 has a DFT-computed band gap of 0.02–1.57 eV across 44 reported structures.
Is LiVO2 a metal, semiconductor, or insulator?
With a band gap up to 1.57 eV it is a semiconductor.
Is LiVO2 thermodynamically stable?
Yes — LiVO2 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of LiVO2?
The lowest-energy reported polymorph of LiVO2 is trigonal symmetry, space group R-3m (No. 166).
What is the density of LiVO2?
The computed density of the ground-state structure of LiVO2 is 4.25 g/cm³.
How many polymorphs of LiVO2 are known?
44 structures of LiVO2 are reported across 3 databases, spanning 12 distinct space groups.
What elements does LiVO2 contain?
LiVO2 contains Li, O, and V (3 elements).
Where does the data for LiVO2 come from?
LiVO2 data is cross-referenced from materials_project, mpaloe.
Comparison

How It Compares

Within the lithium oxides class.

Within the diverse class of lithium oxides, LiVO2 occupies a distinct niche compared to widely commercialized cathodes like LiCoO2 or LiMn2O4. While those materials are primarily recognized for their high-capacity performance in batteries, LiVO2 offers a different electronic profile that complements the structural diversity seen in other members such as Li2TiO3 or Li2MnO3.

Explore

Related Compounds

Other Lithium Oxides in the database.

Data sources & attribution
  • materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
  • mpaloe — Data from mpaloe.

Analyze LiVO2 in the Lattice Graph platform

Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 53 integrated data sources.

Explore the Platform →