Li4O8Pr4

Li4O8Pr4 is a wide-gap insulating lithium oxide compound that exhibits near-hull thermodynamic stability and is of interest for solid-state materials research.

Crystal structure of Li4O8Pr4
Ground-state structure · Materials Project
Overview

About Li4O8Pr4

Li4O8Pr4 is a complex lithium oxide characterized by its insulating electronic behavior and wide band gap. As a compound with near-hull thermodynamic stability, it is considered a viable candidate for experimental synthesis and structural characterization within the broader family of lithium-based oxides.

Its structural complexity is highlighted by its presence in multiple materials databases, suggesting a diverse range of potential atomic arrangements. This compound serves as a critical subject for researchers exploring the intersection of rare-earth elements and lithium-ion chemistry in solid-state systems.

At a glance

Key Properties

Cross-validated computational properties for Li4O8Pr4, aggregated across 3 databases.

Band Gap

3.53 eV
Range across DFT structures

Energy Above Hull

0.009 eV/atom
Best (lowest) across sources

Stability

Near hull (likely stable)
2 DFT sources

Structures

6
3 databases, 1 space group
Uses

Applications

Where Li4O8Pr4 is used.

Solid-state materials researchFundamental condensed matter physicsAdvanced inorganic synthesis studies
Reference

Frequently Asked Questions

Common questions about Li4O8Pr4, answered from cross-validated data.

What is Li4O8Pr4?

Li4O8Pr4 is a wide-gap insulating lithium oxide compound that exhibits near-hull thermodynamic stability and is of interest for solid-state materials research.

More questions
What is Li4O8Pr4 used for?
Li4O8Pr4 is used in solid-state materials research, fundamental condensed matter physics, and advanced inorganic synthesis studies.
What is the band gap of Li4O8Pr4?
Li4O8Pr4 has a DFT-computed band gap of 3.53 eV across 6 reported structures.
Is Li4O8Pr4 a metal, semiconductor, or insulator?
With a wide band gap up to 3.53 eV it is an insulator / wide-band-gap material.
Is Li4O8Pr4 thermodynamically stable?
Li4O8Pr4 has a lowest energy above hull of 0.009 eV/atom (near hull (likely stable)).
How many polymorphs of Li4O8Pr4 are known?
6 structures of Li4O8Pr4 are reported across 3 databases, spanning 1 distinct space group.
What elements does Li4O8Pr4 contain?
Li4O8Pr4 contains Li, O, and Pr (3 elements).
Where does the data for Li4O8Pr4 come from?
Li4O8Pr4 data is cross-referenced from latticegraph.
Comparison

How It Compares

Within the lithium oxides class.

Unlike the widely utilized battery cathode materials such as LiCoO2 or LiMn2O4, which are known for their redox-active transition metals, Li4O8Pr4 features praseodymium, placing it in a distinct niche within the lithium oxide class. While Li2O serves as a simple binary reference, Li4O8Pr4 offers a more intricate structural framework that differentiates it from the layered or spinel architectures typical of its more common siblings.

Explore

Related Compounds

Other Lithium Oxides in the database.

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

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