Li4MoO9P2

Li4MoO9P2 is a metastable, semiconducting lithium molybdenum phosphate compound used in specialized materials research.

LiMoOP
Crystal structure of Li4MoO9P2 (monoclinic, C2/m (No. 12))
Ground-state structure · Materials Project
Overview

About Li4MoO9P2

Li4MoO9P2 is a complex lithium molybdenum phosphate that exhibits semiconducting electronic behavior. As a metastable phase, it represents a unique arrangement of lithium, molybdenum, oxygen, and phosphorus atoms that offers distinct pathways for ion transport and electronic modulation.

Its significance lies in its potential role within advanced electrochemical systems where structural stability and electronic conductivity must be balanced. By leveraging its specific stoichiometry, researchers investigate its utility in solid-state energy applications where conventional materials may reach their performance limits.

At a glance

Key Properties

Cross-validated computational properties for Li4MoO9P2, aggregated across 2 databases.

Band Gap

1.68 eV
Range across DFT structures

Energy Above Hull

0.047 eV/atom
Best (lowest) across sources

Stability

Metastable
1 DFT source

Structures

2
2 databases, 1 space group
Crystallography

Reported Structures

Lowest-energy structures reported for Li4MoO9P2, ranked by energy above hull.

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
C2/m (No. 12)monoclinic1.680.0467-7.1842.99
Uses

Applications

Where Li4MoO9P2 is used.

Solid-state electrolyte researchEnergy storage material development
Intellectual Property

Patent Landscape

3 patents reference Li4MoO9P2 or close compositional variants.

PatentTitleAssigneeGranted
8248032Charging system for prioritizing load consumption in a notebook computer
8263193Vacuum treatment method
8268035Process for producing refractory metal alloy powders
Reference

Frequently Asked Questions

Common questions about Li4MoO9P2, answered from cross-validated data.

What is Li4MoO9P2?

Li4MoO9P2 is a metastable, semiconducting lithium molybdenum phosphate compound used in specialized materials research.

More questions
What is Li4MoO9P2 used for?
Li4MoO9P2 is used in solid-state electrolyte research and energy storage material development.
What is the band gap of Li4MoO9P2?
Li4MoO9P2 has a DFT-computed band gap of 1.68 eV across 2 reported structures.
Is Li4MoO9P2 a metal, semiconductor, or insulator?
With a band gap up to 1.68 eV it is a semiconductor.
Is Li4MoO9P2 thermodynamically stable?
Li4MoO9P2 has a lowest energy above hull of 0.047 eV/atom (metastable).
What is the crystal structure of Li4MoO9P2?
The lowest-energy reported polymorph of Li4MoO9P2 is monoclinic symmetry, space group C2/m (No. 12).
What is the density of Li4MoO9P2?
The computed density of the ground-state structure of Li4MoO9P2 is 2.99 g/cm³.
How many polymorphs of Li4MoO9P2 are known?
2 structures of Li4MoO9P2 are reported across 2 databases, spanning 1 distinct space group.
What elements does Li4MoO9P2 contain?
Li4MoO9P2 contains Li, Mo, O, and P (4 elements).
Where does the data for Li4MoO9P2 come from?
Li4MoO9P2 data is cross-referenced from materials_project, alexandria.
Comparison

How It Compares

As a specialized lithium molybdenum phosphate, Li4MoO9P2 functions as a niche material within the broader landscape of complex polyanionic compounds. While it lacks direct structural siblings in this specific grouping, it serves as a critical case study for understanding how metastable phases can be stabilized for functional use in solid-state devices.

Data sources & attribution
  • materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
  • alexandria — Data from alexandria.

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