Li2Ni2BiO6

Li2Ni2BiO6 is a semiconducting layered oxide containing lithium, nickel, and bismuth that is considered a promising target for materials synthesis.

Crystal structure of Li2Ni2BiO6
Ground-state structure · Materials Project
Overview

About Li2Ni2BiO6

Li2Ni2BiO6 belongs to the class of layered lithium transition-metal oxides, characterized by its semiconducting electronic structure. Its composition, incorporating bismuth alongside nickel and lithium, suggests a unique structural framework that distinguishes it from more traditional cathode materials.

As a near-hull stable phase, this compound is considered a viable candidate for experimental synthesis. Its potential utility lies in the exploration of alternative transition-metal architectures that could offer distinct electrochemical pathways for next-generation battery technologies.

At a glance

Key Properties

Cross-validated computational properties for Li2Ni2BiO6, aggregated across 3 databases.

Band Gap

0.83 eV
Range across DFT structures

Energy Above Hull

0.024 eV/atom
Best (lowest) across sources

Stability

Near hull (likely stable)
2 DFT sources

Structures

7
3 databases, 3 space groups
Uses

Applications

Where Li2Ni2BiO6 is used.

Energy storage researchBattery electrode material development
Reference

Frequently Asked Questions

Common questions about Li2Ni2BiO6, answered from cross-validated data.

What is Li2Ni2BiO6?

Li2Ni2BiO6 is a semiconducting layered oxide containing lithium, nickel, and bismuth that is considered a promising target for materials synthesis.

More questions
What is Li2Ni2BiO6 used for?
Li2Ni2BiO6 is used in energy storage research and battery electrode material development.
What is the band gap of Li2Ni2BiO6?
Li2Ni2BiO6 has a DFT-computed band gap of 0.83 eV across 7 reported structures.
Is Li2Ni2BiO6 a metal, semiconductor, or insulator?
With a band gap up to 0.83 eV it is a semiconductor.
Is Li2Ni2BiO6 thermodynamically stable?
Li2Ni2BiO6 has a lowest energy above hull of 0.024 eV/atom (near hull (likely stable)).
How many polymorphs of Li2Ni2BiO6 are known?
7 structures of Li2Ni2BiO6 are reported across 3 databases, spanning 3 distinct space groups.
What elements does Li2Ni2BiO6 contain?
Li2Ni2BiO6 contains Bi, Li, Ni, and O (4 elements).
Where does the data for Li2Ni2BiO6 come from?
Li2Ni2BiO6 data is cross-referenced from latticegraph.
Comparison

How It Compares

Within the layered lithium transition-metal oxides class.

While classic materials like LiCoO2 and LiNiO2 are well-established benchmarks in the layered oxide family, Li2Ni2BiO6 represents a more specialized structural variation. Unlike the widely utilized LiMn2O4, this compound incorporates bismuth to modify the electronic environment, placing it in a niche category of complex oxides that deviate from standard binary transition-metal configurations.

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Related Compounds

Other Layered Lithium Transition-Metal Oxides in the database.

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

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