Li2FePHO5

Li2FePHO5 is a metastable, insulating phosphate material researched for its potential applications in lithium-ion battery cathode technology.

Crystal structure of Li2FePHO5
Ground-state structure · Materials Project
Overview

About Li2FePHO5

Li2FePHO5 belongs to the olivine phosphate class of materials, characterized by its insulating electronic nature. As a metastable compound, it represents a unique structural variation within the broader family of lithium iron-based phosphates, offering researchers a distinct platform for studying ion mobility and electrochemical behavior.

This material is primarily investigated for its potential utility in high-performance battery cathodes. By leveraging the structural stability inherent to its phosphate-based framework, it serves as a subject of interest for developing next-generation energy storage technologies that require robust, lightweight, and efficient electrode materials.

At a glance

Key Properties

Cross-validated computational properties for Li2FePHO5, aggregated across 3 databases.

Band Gap

3.52–3.98 eV
Range across DFT structures

Energy Above Hull

0.047 eV/atom
Best (lowest) across sources

Stability

Metastable
2 DFT sources

Structures

11
3 databases, 2 space groups
Uses

Applications

Where Li2FePHO5 is used.

Lithium-ion battery researchCathode material developmentEnergy storage device design
Reference

Frequently Asked Questions

Common questions about Li2FePHO5, answered from cross-validated data.

What is Li2FePHO5?

Li2FePHO5 is a metastable, insulating phosphate material researched for its potential applications in lithium-ion battery cathode technology.

More questions
What is Li2FePHO5 used for?
Li2FePHO5 is used in lithium-ion battery research, cathode material development, and energy storage device design.
What is the band gap of Li2FePHO5?
Li2FePHO5 has a DFT-computed band gap of 3.52–3.98 eV across 11 reported structures.
Is Li2FePHO5 a metal, semiconductor, or insulator?
With a wide band gap up to 3.98 eV it is an insulator / wide-band-gap material.
Is Li2FePHO5 thermodynamically stable?
Li2FePHO5 has a lowest energy above hull of 0.047 eV/atom (metastable).
How many polymorphs of Li2FePHO5 are known?
11 structures of Li2FePHO5 are reported across 3 databases, spanning 2 distinct space groups.
What elements does Li2FePHO5 contain?
Li2FePHO5 contains Fe, H, Li, O, and P (5 elements).
Where does the data for Li2FePHO5 come from?
Li2FePHO5 data is cross-referenced from latticegraph.
Comparison

How It Compares

Within the olivine phosphate cathodes class.

Within the diverse family of olivine phosphate cathodes, Li2FePHO5 occupies a niche position compared to the well-established LiFePO4. While LiFePO4 is widely recognized for its excellent stability and commercial viability, Li2FePHO5 presents a more complex, metastable structural arrangement that distinguishes it from simpler siblings like LiMnPO4 or the pyrophosphate-based LiFeP2O7.

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Related Compounds

Other Olivine Phosphate Cathodes in the database.

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

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