LiFe2P3O10

LiFe2P3O10 is a stable, insulating phosphate compound studied for its potential role in advanced electrochemical energy storage architectures.

Crystal structure of LiFe2P3O10 (monoclinic, P21/m (No. 11))
Ground-state structure · Materials Project
Overview

About LiFe2P3O10

LiFe2P3O10 is a phosphate-based compound that sits within the broader class of olivine-related cathode materials. Its electronic profile is characterized as a wide-gap insulator, a property that distinguishes it from more conductive metallic oxides and influences its electrochemical behavior in potential energy storage systems.

As a thermodynamically stable phase located on the convex hull, this material represents a robust structural arrangement of lithium, iron, and phosphorus. Its stability makes it an intriguing subject for fundamental studies into ion transport and structural integrity within phosphate-based framework materials.

At a glance

Key Properties

Cross-validated computational properties for LiFe2P3O10, aggregated across 2 databases.

Band Gap

3.17 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
1 DFT source

Structures

4
2 databases, 1 space group
Crystallography

Reported Structures

Lowest-energy structures reported for LiFe2P3O10, ranked by energy above hull.

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
P21/m (No. 11)monoclinic3.170.0000-7.7653.33
P21/m (No. 11)Monoclinic3.33
P21/m (No. 11)Monoclinic3.61
P21/m (No. 11)Monoclinic3.43
Synthesis

Synthesis Routes

Literature-extracted synthesis procedures targeting LiFe2P3O10.

Sol-Gel
Procedure available · ceder_solid_state
Sol-Gel
Procedure available · ceder_solid_state
Uses

Applications

Where LiFe2P3O10 is used.

Electrochemical energy storage researchBattery cathode material investigationSolid-state ionics studies
Reference

Frequently Asked Questions

Common questions about LiFe2P3O10, answered from cross-validated data.

What is LiFe2P3O10?

LiFe2P3O10 is a stable, insulating phosphate compound studied for its potential role in advanced electrochemical energy storage architectures.

More questions
What is LiFe2P3O10 used for?
LiFe2P3O10 is used in electrochemical energy storage research, battery cathode material investigation, and solid-state ionics studies.
What is the band gap of LiFe2P3O10?
LiFe2P3O10 has a DFT-computed band gap of 3.17 eV across 4 reported structures.
Is LiFe2P3O10 a metal, semiconductor, or insulator?
With a wide band gap up to 3.17 eV it is an insulator / wide-band-gap material.
Is LiFe2P3O10 thermodynamically stable?
Yes — LiFe2P3O10 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of LiFe2P3O10?
The lowest-energy reported polymorph of LiFe2P3O10 is monoclinic symmetry, space group P21/m (No. 11).
What is the density of LiFe2P3O10?
The computed density of the ground-state structure of LiFe2P3O10 is 3.33 g/cm³.
How many polymorphs of LiFe2P3O10 are known?
4 structures of LiFe2P3O10 are reported across 2 databases, spanning 1 distinct space group.
How is LiFe2P3O10 synthesized?
Literature-reported routes for LiFe2P3O10 include sol-gel (2 procedures documented).
What elements does LiFe2P3O10 contain?
LiFe2P3O10 contains Fe, Li, O, and P (4 elements).
Where does the data for LiFe2P3O10 come from?
LiFe2P3O10 data is cross-referenced from materials_project, mpaloe.
Comparison

How It Compares

Within the olivine phosphate cathodes class.

While LiFePO4 remains the benchmark for commercial olivine cathode performance, LiFe2P3O10 offers a distinct structural complexity compared to its simpler phosphate siblings. Unlike the standard olivine structure, this compound incorporates a higher phosphorus-to-metal ratio, placing it in a unique position alongside pyrophosphate variants like LiFeP2O7 in the landscape of iron-based lithium battery materials.

Explore

Related Compounds

Other Olivine Phosphate Cathodes 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.

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