Li2Si2NiO6

Li2Si2NiO6 is a metastable, wide-band-gap insulating oxide containing lithium, nickel, and silicon.

LiNiOSi
Crystal structure of Li2Si2NiO6
Ground-state structure · Materials Project
Overview

About Li2Si2NiO6

Li2Si2NiO6 is a complex quaternary oxide characterized by its wide-band-gap insulating electronic profile. As a metastable phase, it represents a unique structural arrangement within the lithium-nickel-silicate system, offering researchers a distinct chemical environment for exploring ionic conductivity and dielectric properties.

Its significance lies in its structural diversity, with numerous reported configurations across major materials databases. This variability makes it an intriguing subject for fundamental studies in solid-state chemistry, particularly for those investigating the stabilization of complex oxide frameworks.

At a glance

Key Properties

Cross-validated computational properties for Li2Si2NiO6, aggregated across 3 databases.

Band Gap

3.43–3.92 eV
Range across DFT structures

Energy Above Hull

0.036 eV/atom
Best (lowest) across sources

Stability

Metastable
2 DFT sources

Structures

15
3 databases, 7 space groups
Uses

Applications

Where Li2Si2NiO6 is used.

Solid-state chemistry researchDielectric materials explorationFundamental structural studies
Reference

Frequently Asked Questions

Common questions about Li2Si2NiO6, answered from cross-validated data.

What is Li2Si2NiO6?

Li2Si2NiO6 is a metastable, wide-band-gap insulating oxide containing lithium, nickel, and silicon.

More questions
What is Li2Si2NiO6 used for?
Li2Si2NiO6 is used in solid-state chemistry research, dielectric materials exploration, and fundamental structural studies.
What is the band gap of Li2Si2NiO6?
Li2Si2NiO6 has a DFT-computed band gap of 3.43–3.92 eV across 15 reported structures.
Is Li2Si2NiO6 a metal, semiconductor, or insulator?
With a wide band gap up to 3.92 eV it is an insulator / wide-band-gap material.
Is Li2Si2NiO6 thermodynamically stable?
Li2Si2NiO6 has a lowest energy above hull of 0.036 eV/atom (metastable).
How many polymorphs of Li2Si2NiO6 are known?
15 structures of Li2Si2NiO6 are reported across 3 databases, spanning 7 distinct space groups.
What elements does Li2Si2NiO6 contain?
Li2Si2NiO6 contains Li, Ni, O, and Si (4 elements).
Where does the data for Li2Si2NiO6 come from?
Li2Si2NiO6 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a metastable phase with a wide-band-gap insulating nature, this compound serves as a specialized case study in the broader landscape of lithium-based silicate oxides, providing a unique structural template for exploring how transition metals influence insulating framework stability.

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

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