S2ScTl

S2ScTl is a stable semiconducting ternary sulfide compound with a diverse range of known structural configurations.

SScTl
Crystal structure of S2ScTl
Ground-state structure · Materials Project
Overview

About S2ScTl

S2ScTl is a ternary sulfide compound that exhibits semiconducting electronic properties. As a thermodynamically stable phase located on the convex hull, it represents a robust configuration of scandium, thallium, and sulfur atoms that maintains structural integrity under standard conditions. The material is characterized by a diverse structural landscape, with multiple reported configurations across crystallographic databases. This structural variety highlights its potential interest for researchers investigating complex chalcogenide systems for specialized electronic or optoelectronic functions.

At a glance

Key Properties

Cross-validated computational properties for S2ScTl, aggregated across 3 databases.

Band Gap

0.93 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

6
3 databases, 2 space groups
Uses

Applications

Where S2ScTl is used.

Semiconductor researchSolid-state chemistryMaterials science exploration
Reference

Frequently Asked Questions

Common questions about S2ScTl, answered from cross-validated data.

What is S2ScTl?

S2ScTl is a stable semiconducting ternary sulfide compound with a diverse range of known structural configurations.

More questions
What is S2ScTl used for?
S2ScTl is used in semiconductor research, solid-state chemistry, and materials science exploration.
What is the band gap of S2ScTl?
S2ScTl has a DFT-computed band gap of 0.93 eV across 6 reported structures.
Is S2ScTl a metal, semiconductor, or insulator?
With a band gap up to 0.93 eV it is a semiconductor.
Is S2ScTl thermodynamically stable?
Yes — S2ScTl sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
How many polymorphs of S2ScTl are known?
6 structures of S2ScTl are reported across 3 databases, spanning 2 distinct space groups.
What elements does S2ScTl contain?
S2ScTl contains S, Sc, and Tl (3 elements).
Where does the data for S2ScTl come from?
S2ScTl data is cross-referenced from latticegraph.
Comparison

How It Compares

As a distinct ternary sulfide, S2ScTl occupies a unique position in materials science where its thermodynamic stability makes it a reliable candidate for further experimental characterization compared to less stable or metastable phases in the broader class of scandium-thallium-sulfur compounds.

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

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