Li2VCoO4

Li2VCoO4 is a semiconducting, metastable layered oxide containing lithium, vanadium, cobalt, and oxygen, primarily researched for battery electrode applications.

Crystal structure of Li2VCoO4 (orthorhombic, Imma (No. 74))
Ground-state structure · Materials Project
Overview

About Li2VCoO4

Li2VCoO4 belongs to the class of layered lithium transition-metal oxides, characterized by a semiconducting electronic structure. As a metastable phase, it represents a complex arrangement of lithium, vanadium, cobalt, and oxygen ions that offers unique pathways for ion mobility and redox activity.

This material is primarily investigated for its role in next-generation battery technologies. Its specific composition allows researchers to explore how mixed-metal oxides can be engineered to optimize electrochemical performance beyond traditional cathode materials.

At a glance

Key Properties

Cross-validated computational properties for Li2VCoO4, aggregated across 3 databases.

Band Gap

1.32–1.47 eV
Range across DFT structures

Energy Above Hull

0.067 eV/atom
Best (lowest) across sources

Stability

Metastable
2 DFT sources

Structures

11
3 databases, 3 space groups
Crystallography

Reported Structures

Lowest-energy structures reported for Li2VCoO4, ranked by energy above hull.

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
Imma (No. 74)orthorhombic1.320.0674-7.1294.20
P1 (No. 1)triclinic1.400.0738-7.1234.22
P-1 (No. 2)triclinic1.470.2639-6.9334.22
P-1 (No. 2)Triclinic4.22
P-1 (No. 2)Triclinic4.51
Imma (No. 74)Orthorhombic4.20
P-1 (No. 2)Triclinic4.39
P1 (No. 1)
Imma (No. 74)Orthorhombic4.44
Imma (No. 74)Orthorhombic4.57
P1 (No. 1)
Uses

Applications

Where Li2VCoO4 is used.

Battery electrode researchElectrochemical energy storage development
Reference

Frequently Asked Questions

Common questions about Li2VCoO4, answered from cross-validated data.

What is Li2VCoO4?

Li2VCoO4 is a semiconducting, metastable layered oxide containing lithium, vanadium, cobalt, and oxygen, primarily researched for battery electrode applications.

More questions
What is Li2VCoO4 used for?
Li2VCoO4 is used in battery electrode research and electrochemical energy storage development.
What is the band gap of Li2VCoO4?
Li2VCoO4 has a DFT-computed band gap of 1.32–1.47 eV across 11 reported structures.
Is Li2VCoO4 a metal, semiconductor, or insulator?
With a band gap up to 1.47 eV it is a semiconductor.
Is Li2VCoO4 thermodynamically stable?
Li2VCoO4 has a lowest energy above hull of 0.067 eV/atom (metastable).
What is the crystal structure of Li2VCoO4?
The lowest-energy reported polymorph of Li2VCoO4 is orthorhombic symmetry, space group Imma (No. 74).
What is the density of Li2VCoO4?
The computed density of the ground-state structure of Li2VCoO4 is 4.20 g/cm³.
How many polymorphs of Li2VCoO4 are known?
11 structures of Li2VCoO4 are reported across 3 databases, spanning 3 distinct space groups.
What elements does Li2VCoO4 contain?
Li2VCoO4 contains Co, Li, O, and V (4 elements).
Where does the data for Li2VCoO4 come from?
Li2VCoO4 data is cross-referenced from materials_project, mpaloe, jarvis.
Comparison

How It Compares

Within the layered lithium transition-metal oxides class.

Within the broader family of layered lithium transition-metal oxides, Li2VCoO4 occupies a distinct position compared to more conventional materials like LiCoO2. While LiCoO2 serves as a stable industry standard for lithium-ion batteries, Li2VCoO4 is a metastable variant that provides a different structural framework for studying ion intercalation dynamics and electronic properties in multi-metal systems.

Explore

Related Compounds

Other Layered Lithium Transition-Metal 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.
  • jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).

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