LiPb2Y

LiPb2Y is a semimetallic ternary compound of lithium, lead, and yttrium that exhibits structural complexity despite its thermodynamic instability.

LiPbY
Crystal structure of LiPb2Y
Ground-state structure · Materials Project
Overview

About LiPb2Y

LiPb2Y is a complex ternary compound composed of lithium, lead, and yttrium. Exhibiting a near-zero-gap electronic character, this material functions as a semimetal, placing it in a unique position between metallic and semiconducting behaviors.

Because this compound sits above the thermodynamic hull, it is considered likely unstable under standard conditions. Despite this, its structural diversity is evidenced by multiple reported entries across various crystallographic databases, reflecting significant interest in its atomic configuration.

At a glance

Key Properties

Cross-validated computational properties for LiPb2Y, aggregated across 4 databases.

Band Gap

0.02 eV
Range across DFT structures

Energy Above Hull

1.875 eV/atom
Best (lowest) across sources

Stability

Above hull
3 DFT sources

Structures

5
4 databases, 2 space groups
Reference

Frequently Asked Questions

Common questions about LiPb2Y, answered from cross-validated data.

What is LiPb2Y?

LiPb2Y is a semimetallic ternary compound of lithium, lead, and yttrium that exhibits structural complexity despite its thermodynamic instability.

More questions
What is the band gap of LiPb2Y?
LiPb2Y has a DFT-computed band gap of 0.02 eV across 5 reported structures.
Is LiPb2Y a metal, semiconductor, or insulator?
With a near-zero band gap it behaves as a (semi)metal.
Is LiPb2Y thermodynamically stable?
LiPb2Y has a lowest energy above hull of 1.875 eV/atom (above hull).
How many polymorphs of LiPb2Y are known?
5 structures of LiPb2Y are reported across 4 databases, spanning 2 distinct space groups.
What elements does LiPb2Y contain?
LiPb2Y contains Li, Pb, and Y (3 elements).
Where does the data for LiPb2Y come from?
LiPb2Y data is cross-referenced from latticegraph.
Comparison

How It Compares

As a unique ternary phase, LiPb2Y represents a specialized area of study within intermetallic systems, serving as an example of how lithium, heavy lead, and rare-earth yttrium can be arranged into distinct, albeit metastable, structural frameworks.

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

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