InPb2Tl

InPb2Tl is a semimetallic ternary intermetallic compound known for its structural complexity and metastable nature.

InPbTl
Crystal structure of InPb2Tl (orthorhombic, Immm (No. 71))
Ground-state structure · Materials Project
Overview

About InPb2Tl

InPb2Tl is a complex ternary intermetallic compound composed of indium, lead, and thallium. Its electronic structure is characterized as a near-zero-gap semimetallic material, placing it in a unique regime between metallic conductors and semiconductors.

Due to its position above the thermodynamic stability hull, this compound is considered metastable. Despite its inherent instability, it remains a subject of interest in materials science, supported by multiple reported structural variations across various databases.

At a glance

Key Properties

Cross-validated computational properties for InPb2Tl, aggregated across 3 databases.

Band Gap

0.08 eV
Range across DFT structures

Energy Above Hull

1.242 eV/atom
Best (lowest) across sources

Stability

Above hull
2 DFT sources

Structures

11
3 databases, 1 space group
Crystallography

Reported Structures

Lowest-energy structures reported for InPb2Tl, ranked by energy above hull.

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
Immm (No. 71)orthorhombic0.081.2416-45.8400.84
9.96
10.03
10.01
9.82
Reference

Frequently Asked Questions

Common questions about InPb2Tl, answered from cross-validated data.

What is InPb2Tl?

InPb2Tl is a semimetallic ternary intermetallic compound known for its structural complexity and metastable nature.

More questions
What is the band gap of InPb2Tl?
InPb2Tl has a DFT-computed band gap of 0.08 eV across 11 reported structures.
Is InPb2Tl a metal, semiconductor, or insulator?
With a near-zero band gap it behaves as a (semi)metal.
Is InPb2Tl thermodynamically stable?
InPb2Tl has a lowest energy above hull of 1.242 eV/atom (above hull).
What is the crystal structure of InPb2Tl?
The lowest-energy reported polymorph of InPb2Tl is orthorhombic symmetry, space group Immm (No. 71).
What is the density of InPb2Tl?
The computed density of the ground-state structure of InPb2Tl is 0.84 g/cm³.
How many polymorphs of InPb2Tl are known?
11 structures of InPb2Tl are reported across 3 databases, spanning 1 distinct space group.
What elements does InPb2Tl contain?
InPb2Tl contains In, Pb, and Tl (3 elements).
Where does the data for InPb2Tl come from?
InPb2Tl data is cross-referenced from materials_project, omat24, alexandria.
Comparison

How It Compares

As a unique ternary phase, InPb2Tl represents a specialized case within intermetallic research. Without direct structural siblings in this specific class, it serves as a critical data point for understanding the phase stability and electronic behavior of heavy-metal alloys.

Data sources & attribution
  • materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
  • omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
  • alexandria — Data from alexandria.

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