Li5Si2NiO8

Li5Si2NiO8 is a metastable, semiconducting lithium-silicon-nickel oxide studied for its complex structural properties.

LiNiOSi
Crystal structure of Li5Si2NiO8
Ground-state structure · Materials Project
Overview

About Li5Si2NiO8

Li5Si2NiO8 is a complex lithium-based oxide characterized by its semiconducting electronic nature. As a metastable phase, it represents a unique configuration within the lithium-silicon-nickel-oxygen chemical space, offering distinct structural properties that distinguish it from more common, highly stable oxides.

Its existence across multiple reported structures highlights its interest to researchers investigating novel lithium-ion-conducting materials or battery-related chemistries. The interplay between the lithium, silicon, and nickel sublattices suggests a complex coordination environment that is critical for understanding its potential utility in solid-state energy storage.

At a glance

Key Properties

Cross-validated computational properties for Li5Si2NiO8, aggregated across 3 databases.

Band Gap

1.13 eV
Range across DFT structures

Energy Above Hull

0.045 eV/atom
Best (lowest) across sources

Stability

Metastable
2 DFT sources

Structures

6
3 databases, 1 space group
Uses

Applications

Where Li5Si2NiO8 is used.

Solid-state battery researchLithium-ion conductor developmentAdvanced materials synthesis
Reference

Frequently Asked Questions

Common questions about Li5Si2NiO8, answered from cross-validated data.

What is Li5Si2NiO8?

Li5Si2NiO8 is a metastable, semiconducting lithium-silicon-nickel oxide studied for its complex structural properties.

More questions
What is Li5Si2NiO8 used for?
Li5Si2NiO8 is used in solid-state battery research, lithium-ion conductor development, and advanced materials synthesis.
What is the band gap of Li5Si2NiO8?
Li5Si2NiO8 has a DFT-computed band gap of 1.13 eV across 6 reported structures.
Is Li5Si2NiO8 a metal, semiconductor, or insulator?
With a band gap up to 1.13 eV it is a semiconductor.
Is Li5Si2NiO8 thermodynamically stable?
Li5Si2NiO8 has a lowest energy above hull of 0.045 eV/atom (metastable).
How many polymorphs of Li5Si2NiO8 are known?
6 structures of Li5Si2NiO8 are reported across 3 databases, spanning 1 distinct space group.
What elements does Li5Si2NiO8 contain?
Li5Si2NiO8 contains Li, Ni, O, and Si (4 elements).
Where does the data for Li5Si2NiO8 come from?
Li5Si2NiO8 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a metastable compound, Li5Si2NiO8 occupies a specialized niche in materials science where thermodynamic stability is balanced against unique electronic behavior. Unlike highly stable, naturally occurring minerals, this compound represents a synthetic target that requires precise control over processing conditions to stabilize its semiconducting structure for experimental study.

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

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