Tl1Y2Zn1

Tl1Y2Zn1 is a metastable, semiconducting ternary intermetallic compound containing thallium, yttrium, and zinc.

TlYZn
Crystal structure of Tl1Y2Zn1
Ground-state structure · Materials Project
Overview

About Tl1Y2Zn1

Tl1Y2Zn1 is a complex intermetallic compound composed of thallium, yttrium, and zinc. It exhibits semiconducting electronic behavior, making it a subject of interest for fundamental studies into the electronic properties of ternary metal systems.

As a metastable phase, this material represents a specific structural configuration that is sensitive to synthesis conditions. Its existence within the broader landscape of intermetallic compounds highlights the diversity of bonding environments possible in systems containing heavy post-transition metals and rare-earth elements.

At a glance

Key Properties

Cross-validated computational properties for Tl1Y2Zn1, aggregated across 2 databases.

Band Gap

0.12 eV
Range across DFT structures

Energy Above Hull

0.027 eV/atom
Best (lowest) across sources

Stability

Metastable
1 DFT source

Structures

27
2 databases, 13 space groups
Reference

Frequently Asked Questions

Common questions about Tl1Y2Zn1, answered from cross-validated data.

What is Tl1Y2Zn1?

Tl1Y2Zn1 is a metastable, semiconducting ternary intermetallic compound containing thallium, yttrium, and zinc.

More questions
What is the band gap of Tl1Y2Zn1?
Tl1Y2Zn1 has a DFT-computed band gap of 0.12 eV across 27 reported structures.
Is Tl1Y2Zn1 a metal, semiconductor, or insulator?
With a band gap up to 0.12 eV it is a semiconductor.
Is Tl1Y2Zn1 thermodynamically stable?
Tl1Y2Zn1 has a lowest energy above hull of 0.027 eV/atom (metastable).
How many polymorphs of Tl1Y2Zn1 are known?
27 structures of Tl1Y2Zn1 are reported across 2 databases, spanning 13 distinct space groups.
What elements does Tl1Y2Zn1 contain?
Tl1Y2Zn1 contains Tl, Y, and Zn (3 elements).
Where does the data for Tl1Y2Zn1 come from?
Tl1Y2Zn1 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a unique ternary intermetallic, Tl1Y2Zn1 occupies a specialized niche in materials science. Without direct structural siblings, it serves as a distinct case study for how the combination of thallium and yttrium influences the electronic landscape of zinc-based metallic frameworks.

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

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