LiTe3

LiTe3 is a stable, semiconducting lithium telluride compound known for its structural complexity and presence in multiple materials databases.

LiTe
Crystal structure of LiTe3
Ground-state structure · Materials Project
Overview

About LiTe3

LiTe3 is a distinct lithium-tellurium compound characterized by its semiconducting electronic nature. As a thermodynamically stable phase residing on the convex hull, it represents a robust composition within the binary system, offering a reliable structural framework for research.

The material has garnered significant attention in computational databases, with numerous reported structures highlighting its structural complexity and versatility. Its stability and electronic properties make it a subject of interest for exploring new functional materials in the semiconductor domain.

At a glance

Key Properties

Cross-validated computational properties for LiTe3, aggregated across 4 databases.

Band Gap

0.22–0.51 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
3 DFT sources

Structures

32
4 databases, 13 space groups
Uses

Applications

Where LiTe3 is used.

Semiconductor researchSolid-state chemistryMaterials informatics
Reference

Frequently Asked Questions

Common questions about LiTe3, answered from cross-validated data.

What is LiTe3?

LiTe3 is a stable, semiconducting lithium telluride compound known for its structural complexity and presence in multiple materials databases.

More questions
What is LiTe3 used for?
LiTe3 is used in semiconductor research, solid-state chemistry, and materials informatics.
What is the band gap of LiTe3?
LiTe3 has a DFT-computed band gap of 0.22–0.51 eV across 32 reported structures.
Is LiTe3 a metal, semiconductor, or insulator?
With a band gap up to 0.51 eV it is a semiconductor.
Is LiTe3 thermodynamically stable?
Yes — LiTe3 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
How many polymorphs of LiTe3 are known?
32 structures of LiTe3 are reported across 4 databases, spanning 13 distinct space groups.
What elements does LiTe3 contain?
LiTe3 contains Li and Te (2 elements).
Where does the data for LiTe3 come from?
LiTe3 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a unique binary compound, LiTe3 serves as a foundational reference point for understanding lithium-telluride interactions. It stands out for its structural diversity compared to simpler stoichiometries, providing a critical data point for researchers investigating the phase space of lithium-rich or tellurium-rich chalcogenides.

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

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