Li2VCrO4

Li2VCrO4 is a semiconducting lithium-vanadium-chromium oxide that is theoretically stable enough to be a viable candidate for laboratory synthesis.

CrLiOV
Crystal structure of Li2VCrO4
Ground-state structure · Materials Project
Overview

About Li2VCrO4

Li2VCrO4 is a complex oxide containing lithium, vanadium, and chromium. As a semiconducting material, it exhibits electronic properties that make it a candidate for specialized solid-state applications where charge transport must be carefully managed.

Due to its near-hull thermodynamic stability, this compound is considered a promising target for experimental synthesis. Its structural diversity, supported by a significant number of reported configurations across databases, suggests a flexible lattice capable of accommodating various ionic arrangements.

At a glance

Key Properties

Cross-validated computational properties for Li2VCrO4, aggregated across 3 databases.

Band Gap

0.77–1.96 eV
Range across DFT structures

Energy Above Hull

0.002 eV/atom
Best (lowest) across sources

Stability

Near hull (likely stable)
2 DFT sources

Structures

60
3 databases, 10 space groups
Uses

Applications

Where Li2VCrO4 is used.

Electrochemical energy storage researchSolid-state ionicsTransition metal oxide materials development
Reference

Frequently Asked Questions

Common questions about Li2VCrO4, answered from cross-validated data.

What is Li2VCrO4?

Li2VCrO4 is a semiconducting lithium-vanadium-chromium oxide that is theoretically stable enough to be a viable candidate for laboratory synthesis.

More questions
What is Li2VCrO4 used for?
Li2VCrO4 is used in electrochemical energy storage research, solid-state ionics, and transition metal oxide materials development.
What is the band gap of Li2VCrO4?
Li2VCrO4 has a DFT-computed band gap of 0.77–1.96 eV across 60 reported structures.
Is Li2VCrO4 a metal, semiconductor, or insulator?
With a band gap up to 1.96 eV it is a semiconductor.
Is Li2VCrO4 thermodynamically stable?
Li2VCrO4 has a lowest energy above hull of 0.002 eV/atom (near hull (likely stable)).
How many polymorphs of Li2VCrO4 are known?
60 structures of Li2VCrO4 are reported across 3 databases, spanning 10 distinct space groups.
What elements does Li2VCrO4 contain?
Li2VCrO4 contains Cr, Li, O, and V (4 elements).
Where does the data for Li2VCrO4 come from?
Li2VCrO4 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a unique lithium-based transition metal oxide, Li2VCrO4 occupies a distinct niche in materials research. Without direct structural analogs in this specific chemical family, it serves as a primary example of how mixed-metal oxides can be tuned to achieve semiconducting behavior while maintaining the structural integrity required for potential integration into functional devices.

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

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