Li2Ni3TeO8

Li2Ni3TeO8 is a stable, semiconducting lithium transition-metal oxide used primarily in materials science research for battery development.

Crystal structure of Li2Ni3TeO8
Ground-state structure · Materials Project
Overview

About Li2Ni3TeO8

Li2Ni3TeO8 is a thermodynamically stable member of the layered lithium transition-metal oxide family. Characterized by its semiconducting electronic nature, this compound represents a complex structural arrangement that has garnered significant interest across multiple materials databases for its potential in electrochemical applications. Its stability on the convex hull makes it a noteworthy candidate for structural studies within the broader class of lithium-based oxides. By incorporating tellurium into the transition-metal framework, this material offers unique coordination environments that differ from traditional binary or ternary lithium oxides. Its investigation contributes to the fundamental understanding of how heavy-element doping influences the electronic and structural properties of lithium-ion battery materials.

At a glance

Key Properties

Cross-validated computational properties for Li2Ni3TeO8, aggregated across 3 databases.

Band Gap

0.21–0.53 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

23
3 databases, 4 space groups
Uses

Applications

Where Li2Ni3TeO8 is used.

Lithium-ion battery researchSolid-state electrolyte studiesAdvanced materials characterization
Reference

Frequently Asked Questions

Common questions about Li2Ni3TeO8, answered from cross-validated data.

What is Li2Ni3TeO8?

Li2Ni3TeO8 is a stable, semiconducting lithium transition-metal oxide used primarily in materials science research for battery development.

More questions
What is Li2Ni3TeO8 used for?
Li2Ni3TeO8 is used in lithium-ion battery research, solid-state electrolyte studies, and advanced materials characterization.
What is the band gap of Li2Ni3TeO8?
Li2Ni3TeO8 has a DFT-computed band gap of 0.21–0.53 eV across 23 reported structures.
Is Li2Ni3TeO8 a metal, semiconductor, or insulator?
With a band gap up to 0.53 eV it is a semiconductor.
Is Li2Ni3TeO8 thermodynamically stable?
Yes — Li2Ni3TeO8 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
How many polymorphs of Li2Ni3TeO8 are known?
23 structures of Li2Ni3TeO8 are reported across 3 databases, spanning 4 distinct space groups.
What elements does Li2Ni3TeO8 contain?
Li2Ni3TeO8 contains Li, Ni, O, and Te (4 elements).
Where does the data for Li2Ni3TeO8 come from?
Li2Ni3TeO8 data is cross-referenced from latticegraph.
Comparison

How It Compares

Within the layered lithium transition-metal oxides class.

Within the diverse family of lithium transition-metal oxides, Li2Ni3TeO8 occupies a distinct niche compared to widely utilized cathode materials like LiNiO2 or LiCoO2. While many of its siblings are primarily focused on high-capacity energy storage, the inclusion of tellurium in this structure provides a different chemical landscape, distinguishing it from the more common manganese-rich oxides like LiMn2O4 or Li5Mn3O8.

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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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