Na1Se2Tl1

Na1Se2Tl1 is a metastable semiconducting ternary compound consisting of sodium, selenium, and thallium.

NaSeTl
Crystal structure of Na1Se2Tl1
Ground-state structure · Materials Project
Overview

About Na1Se2Tl1

Na1Se2Tl1 is a ternary compound composed of sodium, selenium, and thallium. As a semiconducting material, it exhibits electronic properties that distinguish it from simple metallic or insulating phases, making it an intriguing subject for fundamental materials research.

Although it is classified as a metastable phase, this compound has been documented across multiple structural configurations. Its existence highlights the complex interplay between alkali metals and chalcogenides, providing insight into the structural diversity possible within this chemical system.

At a glance

Key Properties

Cross-validated computational properties for Na1Se2Tl1, aggregated across 2 databases.

Band Gap

1.04 eV
Range across DFT structures

Energy Above Hull

0.030 eV/atom
Best (lowest) across sources

Stability

Metastable
1 DFT source

Structures

26
2 databases, 17 space groups
Reference

Frequently Asked Questions

Common questions about Na1Se2Tl1, answered from cross-validated data.

What is Na1Se2Tl1?

Na1Se2Tl1 is a metastable semiconducting ternary compound consisting of sodium, selenium, and thallium.

More questions
What is the band gap of Na1Se2Tl1?
Na1Se2Tl1 has a DFT-computed band gap of 1.04 eV across 26 reported structures.
Is Na1Se2Tl1 a metal, semiconductor, or insulator?
With a band gap up to 1.04 eV it is a semiconductor.
Is Na1Se2Tl1 thermodynamically stable?
Na1Se2Tl1 has a lowest energy above hull of 0.030 eV/atom (metastable).
How many polymorphs of Na1Se2Tl1 are known?
26 structures of Na1Se2Tl1 are reported across 2 databases, spanning 17 distinct space groups.
What elements does Na1Se2Tl1 contain?
Na1Se2Tl1 contains Na, Se, and Tl (3 elements).
Where does the data for Na1Se2Tl1 come from?
Na1Se2Tl1 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a unique ternary chalcogenide, Na1Se2Tl1 represents a specialized structural arrangement within the broader field of sodium-thallium-selenium chemistry. Its metastable nature suggests that its synthesis requires precise control over thermodynamic conditions compared to more stable, naturally occurring binary counterparts.

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

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