Li4Si2NiO7

Li4Si2NiO7 is a stable, insulating quaternary oxide composed of lithium, silicon, nickel, and oxygen.

LiNiOSi
Crystal structure of Li4Si2NiO7
Ground-state structure · Materials Project
Overview

About Li4Si2NiO7

Li4Si2NiO7 is a complex quaternary oxide characterized by its wide-gap insulating electronic profile. Its composition, incorporating lithium, silicon, nickel, and oxygen, positions it as a structurally intriguing candidate for solid-state chemistry investigations.

Due to its near-hull thermodynamic stability, this compound is considered a promising target for experimental synthesis. The presence of multiple reported structural variations suggests a flexible coordination environment that may be leveraged in future material design applications.

At a glance

Key Properties

Cross-validated computational properties for Li4Si2NiO7, aggregated across 3 databases.

Band Gap

2.32–3.73 eV
Range across DFT structures

Energy Above Hull

0.021 eV/atom
Best (lowest) across sources

Stability

Near hull (likely stable)
2 DFT sources

Structures

13
3 databases, 3 space groups
Uses

Applications

Where Li4Si2NiO7 is used.

Solid-state electrolyte researchAdvanced ceramic materials developmentFundamental condensed matter physics
Reference

Frequently Asked Questions

Common questions about Li4Si2NiO7, answered from cross-validated data.

What is Li4Si2NiO7?

Li4Si2NiO7 is a stable, insulating quaternary oxide composed of lithium, silicon, nickel, and oxygen.

More questions
What is Li4Si2NiO7 used for?
Li4Si2NiO7 is used in solid-state electrolyte research, advanced ceramic materials development, and fundamental condensed matter physics.
What is the band gap of Li4Si2NiO7?
Li4Si2NiO7 has a DFT-computed band gap of 2.32–3.73 eV across 13 reported structures.
Is Li4Si2NiO7 a metal, semiconductor, or insulator?
With a wide band gap up to 3.73 eV it is an insulator / wide-band-gap material.
Is Li4Si2NiO7 thermodynamically stable?
Li4Si2NiO7 has a lowest energy above hull of 0.021 eV/atom (near hull (likely stable)).
How many polymorphs of Li4Si2NiO7 are known?
13 structures of Li4Si2NiO7 are reported across 3 databases, spanning 3 distinct space groups.
What elements does Li4Si2NiO7 contain?
Li4Si2NiO7 contains Li, Ni, O, and Si (4 elements).
Where does the data for Li4Si2NiO7 come from?
Li4Si2NiO7 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a unique quaternary oxide, Li4Si2NiO7 occupies a specialized niche within the landscape of lithium-based insulators, serving as a distinct example of how silicon and nickel can be integrated into a stable oxygen-rich framework.

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

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