BaPbTl2

BaPbTl2 is a semimetallic ternary compound of barium, lead, and thallium that exhibits structural complexity despite its thermodynamic instability.

BaPbTl
Crystal structure of BaPbTl2
Ground-state structure · Materials Project
Overview

About BaPbTl2

BaPbTl2 is a complex ternary intermetallic compound composed of barium, lead, and thallium. It exhibits a near-zero-gap electronic character, placing it in the semimetallic regime where conduction and valence bands meet at the Fermi level.

Due to its thermodynamic position above the hull, this material is considered likely unstable under standard conditions. Despite this, it remains a subject of interest for researchers investigating the structural diversity of heavy-element intermetallics, with multiple distinct structural configurations documented across various databases.

At a glance

Key Properties

Cross-validated computational properties for BaPbTl2, aggregated across 3 databases.

Band Gap

0.07 eV
Range across DFT structures

Energy Above Hull

1.482 eV/atom
Best (lowest) across sources

Stability

Above hull
2 DFT sources

Structures

4
3 databases, 2 space groups
Reference

Frequently Asked Questions

Common questions about BaPbTl2, answered from cross-validated data.

What is BaPbTl2?

BaPbTl2 is a semimetallic ternary compound of barium, lead, and thallium that exhibits structural complexity despite its thermodynamic instability.

More questions
What is the band gap of BaPbTl2?
BaPbTl2 has a DFT-computed band gap of 0.07 eV across 4 reported structures.
Is BaPbTl2 a metal, semiconductor, or insulator?
With a near-zero band gap it behaves as a (semi)metal.
Is BaPbTl2 thermodynamically stable?
BaPbTl2 has a lowest energy above hull of 1.482 eV/atom (above hull).
How many polymorphs of BaPbTl2 are known?
4 structures of BaPbTl2 are reported across 3 databases, spanning 2 distinct space groups.
What elements does BaPbTl2 contain?
BaPbTl2 contains Ba, Pb, and Tl (3 elements).
Where does the data for BaPbTl2 come from?
BaPbTl2 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a unique ternary phase, BaPbTl2 represents a specialized case within the broader landscape of barium-based intermetallics. Without direct structural siblings in this specific chemical family, it serves as an important data point for understanding the complex bonding interactions between alkaline earth metals and heavy p-block elements.

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

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