Li2Si3NiO8

Li2Si3NiO8 is a metastable, insulating oxide material composed of lithium, nickel, silicon, and oxygen.

LiNiOSi
Crystal structure of Li2Si3NiO8
Ground-state structure · Materials Project
Overview

About Li2Si3NiO8

Li2Si3NiO8 is a complex oxide characterized by its wide-band-gap insulating electronic profile. As a metastable compound, it represents a unique structural arrangement within the lithium-nickel-silicate system, offering researchers a specific configuration of elements that deviates from more common, highly stable phases.

This material is primarily of interest in fundamental solid-state chemistry and materials science exploration. Its insulating nature and specific stoichiometry make it a subject of study for those investigating the synthesis of complex oxides and the stability of lithium-containing frameworks in non-equilibrium states.

At a glance

Key Properties

Cross-validated computational properties for Li2Si3NiO8, aggregated across 3 databases.

Band Gap

3.80–4.40 eV
Range across DFT structures

Energy Above Hull

0.084 eV/atom
Best (lowest) across sources

Stability

Metastable
2 DFT sources

Structures

12
3 databases, 2 space groups
Uses

Applications

Where Li2Si3NiO8 is used.

Materials science researchSolid-state chemistry studiesFundamental oxide structural analysis
Reference

Frequently Asked Questions

Common questions about Li2Si3NiO8, answered from cross-validated data.

What is Li2Si3NiO8?

Li2Si3NiO8 is a metastable, insulating oxide material composed of lithium, nickel, silicon, and oxygen.

More questions
What is Li2Si3NiO8 used for?
Li2Si3NiO8 is used in materials science research, solid-state chemistry studies, and fundamental oxide structural analysis.
What is the band gap of Li2Si3NiO8?
Li2Si3NiO8 has a DFT-computed band gap of 3.80–4.40 eV across 12 reported structures.
Is Li2Si3NiO8 a metal, semiconductor, or insulator?
With a wide band gap up to 4.40 eV it is an insulator / wide-band-gap material.
Is Li2Si3NiO8 thermodynamically stable?
Li2Si3NiO8 has a lowest energy above hull of 0.084 eV/atom (metastable).
How many polymorphs of Li2Si3NiO8 are known?
12 structures of Li2Si3NiO8 are reported across 3 databases, spanning 2 distinct space groups.
What elements does Li2Si3NiO8 contain?
Li2Si3NiO8 contains Li, Ni, O, and Si (4 elements).
Where does the data for Li2Si3NiO8 come from?
Li2Si3NiO8 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a metastable phase in the lithium-nickel-silicate family, this compound serves as a distinct example of structural diversity within its chemical class. Unlike more thermodynamically favored oxides, its existence highlights the complex landscape of potential phases that can be accessed through precise synthetic control.

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

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