Li4P2O7

lithium pyrophosphate · tetralithium pyrophosphate

Lithium pyrophosphate is a stable, insulating lithium oxide compound frequently researched for its potential applications in solid-state battery electrolytes.

Crystal structure of Li4P2O7
Ground-state structure · Materials Project
Overview

About lithium pyrophosphate

Lithium pyrophosphate is a thermodynamically stable member of the lithium oxide family, characterized by its wide-band-gap insulating electronic structure. Its structural integrity and chemical stability make it a subject of significant interest for researchers exploring solid-state ion transport.

As a phosphate-based lithium compound, it serves as a foundational material in the study of ionic conductors. Its role is particularly vital in the development of next-generation energy storage systems where insulating, chemically robust frameworks are required to facilitate stable lithium-ion movement.

At a glance

Key Properties

Cross-validated computational properties for lithium pyrophosphate, aggregated across 4 databases.

Band Gap

2.86–5.80 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

10
4 databases, 3 space groups
Synthesis

Synthesis Routes

Literature-extracted synthesis procedures targeting Li4P2O7.

Solid State
Procedure available · ceder_solid_state
Uses

Applications

Where lithium pyrophosphate is used.

Solid-state electrolyte researchLithium-ion battery material developmentIonic conductor studies
Reference

Frequently Asked Questions

Common questions about lithium pyrophosphate, answered from cross-validated data.

What is Li4P2O7?

Lithium pyrophosphate is a stable, insulating lithium oxide compound frequently researched for its potential applications in solid-state battery electrolytes.

More questions
What is Li4P2O7 used for?
lithium pyrophosphate (Li4P2O7) is used in solid-state electrolyte research, lithium-ion battery material development, and ionic conductor studies.
What is the band gap of Li4P2O7?
lithium pyrophosphate (Li4P2O7) has a DFT-computed band gap of 2.86–5.80 eV across 10 reported structures.
Is Li4P2O7 a metal, semiconductor, or insulator?
With a wide band gap up to 5.80 eV it is an insulator / wide-band-gap material.
Is Li4P2O7 thermodynamically stable?
Yes — lithium pyrophosphate (Li4P2O7) sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
How many polymorphs of Li4P2O7 are known?
10 structures of Li4P2O7 are reported across 4 databases, spanning 3 distinct space groups.
How is Li4P2O7 synthesized?
Literature-reported routes for Li4P2O7 include solid state.
What elements does Li4P2O7 contain?
lithium pyrophosphate (Li4P2O7) contains Li, O, and P (3 elements).
Where does the data for Li4P2O7 come from?
Li4P2O7 data is cross-referenced from latticegraph.
Comparison

How It Compares

Within the lithium oxides class.

Unlike the transition-metal-heavy lithium oxides such as LiCoO2, LiNiO2, or LiMn2O4, which are primarily utilized for their redox-active metal centers in cathode applications, Li4P2O7 functions as a wide-gap insulator. It shares more structural and electronic commonalities with stable, non-redox-active oxides like Li4SiO4, positioning it as a specialized candidate for electrolyte or separator research rather than as an active cathode material.

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Related Compounds

Other Lithium Oxides in the database.

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

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