LiMnP2HO7

LiMnP2HO7 is a metastable, insulating phosphate material researched as a potential cathode candidate for advanced lithium-ion battery technologies.

Crystal structure of LiMnP2HO7
Ground-state structure · Materials Project
Overview

About LiMnP2HO7

LiMnP2HO7 is a complex phosphate-based material categorized within the broader family of olivine-structured cathode compounds. As a wide-band-gap insulator, it exhibits distinct electronic characteristics that differentiate it from more conductive metallic oxides, necessitating careful structural engineering for potential electrochemical utility. Its metastable nature suggests a unique synthetic pathway, making it a subject of interest for researchers investigating structural diversity in lithium-ion battery components. The material is primarily studied for its potential in high-voltage or high-capacity energy storage applications where phosphate frameworks provide structural robustness. Its inclusion in the olivine phosphate class highlights its relevance to the ongoing search for stable, high-performance electrode materials capable of facilitating efficient lithium-ion transport.

At a glance

Key Properties

Cross-validated computational properties for LiMnP2HO7, aggregated across 3 databases.

Band Gap

4.07–4.75 eV
Range across DFT structures

Energy Above Hull

0.027 eV/atom
Best (lowest) across sources

Stability

Metastable
2 DFT sources

Structures

11
3 databases, 2 space groups
Uses

Applications

Where LiMnP2HO7 is used.

Lithium-ion battery cathode researchEnergy storage materials development
Reference

Frequently Asked Questions

Common questions about LiMnP2HO7, answered from cross-validated data.

What is LiMnP2HO7?

LiMnP2HO7 is a metastable, insulating phosphate material researched as a potential cathode candidate for advanced lithium-ion battery technologies.

More questions
What is LiMnP2HO7 used for?
LiMnP2HO7 is used in lithium-ion battery cathode research and energy storage materials development.
What is the band gap of LiMnP2HO7?
LiMnP2HO7 has a DFT-computed band gap of 4.07–4.75 eV across 11 reported structures.
Is LiMnP2HO7 a metal, semiconductor, or insulator?
With a wide band gap up to 4.75 eV it is an insulator / wide-band-gap material.
Is LiMnP2HO7 thermodynamically stable?
LiMnP2HO7 has a lowest energy above hull of 0.027 eV/atom (metastable).
How many polymorphs of LiMnP2HO7 are known?
11 structures of LiMnP2HO7 are reported across 3 databases, spanning 2 distinct space groups.
What elements does LiMnP2HO7 contain?
LiMnP2HO7 contains H, Li, Mn, O, and P (5 elements).
Where does the data for LiMnP2HO7 come from?
LiMnP2HO7 data is cross-referenced from latticegraph.
Comparison

How It Compares

Within the olivine phosphate cathodes class.

Within the diverse landscape of olivine-related phosphates, LiMnP2HO7 occupies a specialized niche compared to well-established benchmarks like LiFePO4 or LiMnPO4. While members such as LiFePO4 are celebrated for their exceptional thermodynamic stability and commercial viability, LiMnP2HO7 represents a more complex, metastable variation that pushes the boundaries of traditional phosphate chemistry. Its structural arrangement differs from simpler analogs like Li2MnP2O7, offering a unique perspective on how hydrogen incorporation and phosphorus-oxygen polyhedra influence the electrochemical landscape of manganese-based cathodes.

Explore

Related Compounds

Other Olivine Phosphate Cathodes in the database.

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

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