Se16Si4Tl16

Se16Si4Tl16 is a thermodynamically stable semiconducting compound composed of selenium, silicon, and thallium.

SeSiTl
Crystal structure of Se16Si4Tl16
Ground-state structure · Materials Project
Overview

About Se16Si4Tl16

Se16Si4Tl16 is a complex ternary compound characterized by its semiconducting electronic nature. As a thermodynamically stable phase residing on the convex hull, it represents a robust structural arrangement of selenium, silicon, and thallium atoms.

Its existence across multiple reported structures highlights its significance in materials research. The compound serves as a subject of interest for understanding the interplay between chalcogenide and pnictogen-like bonding environments in multi-element systems.

At a glance

Key Properties

Cross-validated computational properties for Se16Si4Tl16, aggregated across 3 databases.

Band Gap

1.47 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

4
3 databases, 1 space group
Uses

Applications

Where Se16Si4Tl16 is used.

Semiconductor researchSolid-state chemistry studiesMaterials characterization
Reference

Frequently Asked Questions

Common questions about Se16Si4Tl16, answered from cross-validated data.

What is Se16Si4Tl16?

Se16Si4Tl16 is a thermodynamically stable semiconducting compound composed of selenium, silicon, and thallium.

More questions
What is Se16Si4Tl16 used for?
Se16Si4Tl16 is used in semiconductor research, solid-state chemistry studies, and materials characterization.
What is the band gap of Se16Si4Tl16?
Se16Si4Tl16 has a DFT-computed band gap of 1.47 eV across 4 reported structures.
Is Se16Si4Tl16 a metal, semiconductor, or insulator?
With a band gap up to 1.47 eV it is a semiconductor.
Is Se16Si4Tl16 thermodynamically stable?
Yes — Se16Si4Tl16 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
How many polymorphs of Se16Si4Tl16 are known?
4 structures of Se16Si4Tl16 are reported across 3 databases, spanning 1 distinct space group.
What elements does Se16Si4Tl16 contain?
Se16Si4Tl16 contains Se, Si, and Tl (3 elements).
Where does the data for Se16Si4Tl16 come from?
Se16Si4Tl16 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a unique ternary system, Se16Si4Tl16 occupies a distinct niche in materials science. Without direct structural siblings in this specific classification, it stands as a primary example of how silicon and thallium can integrate into a selenium-rich framework to achieve thermodynamic stability.

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

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