YAsS

YAsS is a thermodynamically stable semiconducting compound containing yttrium, arsenic, and sulfur.

AsSY
Crystal structure of YAsS
Ground-state structure · Materials Project
Overview

About YAsS

YAsS is a stable ternary compound composed of yttrium, arsenic, and sulfur. As a thermodynamically stable material situated on the convex hull, it represents a robust phase within its chemical system, making it a compelling subject for structural and electronic investigations.

Its semiconducting nature suggests potential utility in electronic and optoelectronic applications where specific charge carrier behaviors are required. With multiple reported structures across various databases, it is a well-documented material that offers researchers a reliable foundation for exploring complex chalcogenide-pnictide chemistry.

At a glance

Key Properties

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

Band Gap

0.03–0.52 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

13
3 databases, 6 space groups
Uses

Applications

Where YAsS is used.

Semiconductor researchMaterials science explorationSolid-state chemistry
Reference

Frequently Asked Questions

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

What is YAsS?

YAsS is a thermodynamically stable semiconducting compound containing yttrium, arsenic, and sulfur.

More questions
What is YAsS used for?
YAsS is used in semiconductor research, materials science exploration, and solid-state chemistry.
What is the band gap of YAsS?
YAsS has a DFT-computed band gap of 0.03–0.52 eV across 13 reported structures.
Is YAsS a metal, semiconductor, or insulator?
With a band gap up to 0.52 eV it is a semiconductor.
Is YAsS thermodynamically stable?
Yes — YAsS sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
How many polymorphs of YAsS are known?
13 structures of YAsS are reported across 3 databases, spanning 6 distinct space groups.
What elements does YAsS contain?
YAsS contains As, S, and Y (3 elements).
Where does the data for YAsS come from?
YAsS data is cross-referenced from latticegraph.
Comparison

How It Compares

As a unique ternary phase, YAsS serves as a distinct representative of its chemical family. While it currently stands alone in this context, its stability and semiconducting character position it as a benchmark for evaluating the properties of similar yttrium-based pnictide-chalcogenides.

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

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