Li3MoP2O9

Li3MoP2O9 is a metastable, semiconducting lithium molybdenum phosphate used in materials science research.

LiMoOP
Crystal structure of Li3MoP2O9
Ground-state structure · Materials Project
Overview

About Li3MoP2O9

Li3MoP2O9 is a complex lithium molybdenum phosphate that exhibits semiconducting electronic behavior. As a metastable phase, it represents a specialized structural arrangement within the broader family of lithium-based polyanionic compounds, offering unique pathways for ion transport and electronic modulation.

Its significance lies in its intricate atomic framework, which is of interest for fundamental studies in solid-state chemistry. Researchers examine this material to understand how the integration of molybdenum and phosphorus into a lithium-rich lattice influences its stability and charge-carrier dynamics.

At a glance

Key Properties

Cross-validated computational properties for Li3MoP2O9, aggregated across 3 databases.

Band Gap

1.47 eV
Range across DFT structures

Energy Above Hull

0.063 eV/atom
Best (lowest) across sources

Stability

Metastable
2 DFT sources

Structures

5
3 databases, 1 space group
Uses

Applications

Where Li3MoP2O9 is used.

Solid-state chemistry researchElectrochemical material studies
Reference

Frequently Asked Questions

Common questions about Li3MoP2O9, answered from cross-validated data.

What is Li3MoP2O9?

Li3MoP2O9 is a metastable, semiconducting lithium molybdenum phosphate used in materials science research.

More questions
What is Li3MoP2O9 used for?
Li3MoP2O9 is used in solid-state chemistry research and electrochemical material studies.
What is the band gap of Li3MoP2O9?
Li3MoP2O9 has a DFT-computed band gap of 1.47 eV across 5 reported structures.
Is Li3MoP2O9 a metal, semiconductor, or insulator?
With a band gap up to 1.47 eV it is a semiconductor.
Is Li3MoP2O9 thermodynamically stable?
Li3MoP2O9 has a lowest energy above hull of 0.063 eV/atom (metastable).
How many polymorphs of Li3MoP2O9 are known?
5 structures of Li3MoP2O9 are reported across 3 databases, spanning 1 distinct space group.
What elements does Li3MoP2O9 contain?
Li3MoP2O9 contains Li, Mo, O, and P (4 elements).
Where does the data for Li3MoP2O9 come from?
Li3MoP2O9 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a relatively rare and specialized compound, Li3MoP2O9 occupies a distinct niche within the landscape of lithium-containing phosphates. Unlike more common, highly stable battery cathode materials, this compound is characterized by its metastable nature, making it a subject of interest for those exploring non-equilibrium synthesis and the discovery of novel electronic phases.

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

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