LiCrPO5

LiCrPO5 is a metastable semiconducting transition-metal phosphate utilized in materials science research for electrochemical energy storage applications.

Crystal structure of LiCrPO5
Ground-state structure · Materials Project
Overview

About LiCrPO5

LiCrPO5 is a complex transition-metal phosphate characterized by its semiconducting electronic nature. As a metastable phase, it represents a specialized structural arrangement within the broader phosphate family, offering unique pathways for ion mobility and redox activity in solid-state systems.

This compound is primarily investigated for its potential utility in electrochemical applications where transition metal centers facilitate charge transfer. Its structural configuration, while less common than its stable counterparts, provides researchers with a distinct platform for studying the influence of chromium on the electrochemical performance of lithium-containing frameworks.

At a glance

Key Properties

Cross-validated computational properties for LiCrPO5, aggregated across 2 databases.

Band Gap

0.13–1.48 eV
Range across DFT structures

Energy Above Hull

0.037 eV/atom
Best (lowest) across sources

Stability

Metastable
1 DFT source

Structures

29
2 databases, 7 space groups
Uses

Applications

Where LiCrPO5 is used.

Electrochemical energy storage researchSolid-state battery materials exploration
Reference

Frequently Asked Questions

Common questions about LiCrPO5, answered from cross-validated data.

What is LiCrPO5?

LiCrPO5 is a metastable semiconducting transition-metal phosphate utilized in materials science research for electrochemical energy storage applications.

More questions
What is LiCrPO5 used for?
LiCrPO5 is used in electrochemical energy storage research and solid-state battery materials exploration.
What is the band gap of LiCrPO5?
LiCrPO5 has a DFT-computed band gap of 0.13–1.48 eV across 29 reported structures.
Is LiCrPO5 a metal, semiconductor, or insulator?
With a band gap up to 1.48 eV it is a semiconductor.
Is LiCrPO5 thermodynamically stable?
LiCrPO5 has a lowest energy above hull of 0.037 eV/atom (metastable).
How many polymorphs of LiCrPO5 are known?
29 structures of LiCrPO5 are reported across 2 databases, spanning 7 distinct space groups.
What elements does LiCrPO5 contain?
LiCrPO5 contains Cr, Li, O, and P (4 elements).
Where does the data for LiCrPO5 come from?
LiCrPO5 data is cross-referenced from latticegraph.
Comparison

How It Compares

Within the transition-metal phosphates class.

Within the diverse class of transition-metal phosphates, LiCrPO5 occupies a niche position compared to the highly stable and widely utilized LiFePO4. While LiFePO4 is a benchmark material for commercial battery cathodes due to its robust stability, LiCrPO5 serves as a metastable alternative that allows for the exploration of different redox potentials and structural dynamics inherent to chromium-based systems.

Explore

Related Compounds

Other Transition-Metal Phosphates in the database.

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

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