Ba1Li2Pb1

Ba1Li2Pb1 is a semiconducting ternary intermetallic compound containing barium, lithium, and lead that is characterized by its metastable nature.

BaLiPb
Crystal structure of Ba1Li2Pb1
Ground-state structure · Materials Project
Overview

About Ba1Li2Pb1

Ba1Li2Pb1 is a ternary intermetallic compound composed of barium, lithium, and lead. As a semiconducting material, it exhibits distinct electronic characteristics that differentiate it from typical metallic alloys, making it a subject of interest for fundamental solid-state research.

Despite the existence of multiple reported structural variations in crystallographic databases, thermodynamic analysis suggests that this phase resides above the hull. This indicates that the compound is likely metastable or unstable under standard conditions, requiring specific synthesis pathways to achieve formation.

At a glance

Key Properties

Cross-validated computational properties for Ba1Li2Pb1, aggregated across 2 databases.

Band Gap

0.27 eV
Range across DFT structures

Energy Above Hull

1.544 eV/atom
Best (lowest) across sources

Stability

Above hull
1 DFT source

Structures

27
2 databases, 16 space groups
Reference

Frequently Asked Questions

Common questions about Ba1Li2Pb1, answered from cross-validated data.

What is Ba1Li2Pb1?

Ba1Li2Pb1 is a semiconducting ternary intermetallic compound containing barium, lithium, and lead that is characterized by its metastable nature.

More questions
What is the band gap of Ba1Li2Pb1?
Ba1Li2Pb1 has a DFT-computed band gap of 0.27 eV across 27 reported structures.
Is Ba1Li2Pb1 a metal, semiconductor, or insulator?
With a band gap up to 0.27 eV it is a semiconductor.
Is Ba1Li2Pb1 thermodynamically stable?
Ba1Li2Pb1 has a lowest energy above hull of 1.544 eV/atom (above hull).
How many polymorphs of Ba1Li2Pb1 are known?
27 structures of Ba1Li2Pb1 are reported across 2 databases, spanning 16 distinct space groups.
What elements does Ba1Li2Pb1 contain?
Ba1Li2Pb1 contains Ba, Li, and Pb (3 elements).
Where does the data for Ba1Li2Pb1 come from?
Ba1Li2Pb1 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a unique ternary phase, Ba1Li2Pb1 represents a complex arrangement of alkaline earth, alkali, and post-transition metals. Without direct siblings in this specific class, it serves as a distinct case study for understanding the structural diversity and energetic challenges inherent in multi-element lithium-based intermetallics.

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

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