Ag3SI

Ag3SI is a metastable, semiconducting ternary compound containing silver, sulfur, and iodine that is primarily used in fundamental materials research.

AgIS
Crystal structure of Ag3SI
Ground-state structure · Materials Project
Overview

About Ag3SI

Ag3SI is a ternary compound composed of silver, sulfur, and iodine that exhibits semiconducting electronic characteristics. As a metastable material, it represents a complex structural arrangement that is of significant interest for fundamental solid-state physics investigations.

Due to its distinct chemical composition, this compound is frequently studied for its structural diversity, with numerous reported configurations across various databases. Its role as a metastable phase makes it a compelling subject for researchers examining phase transitions and ion transport phenomena in inorganic materials.

At a glance

Key Properties

Cross-validated computational properties for Ag3SI, aggregated across 3 databases.

Band Gap

0.17–0.62 eV
Range across DFT structures

Energy Above Hull

0.067 eV/atom
Best (lowest) across sources

Stability

Metastable
2 DFT sources

Structures

28
3 databases, 7 space groups
Uses

Applications

Where Ag3SI is used.

Solid-state ionics researchFundamental materials science studiesPhase transition investigations
Reference

Frequently Asked Questions

Common questions about Ag3SI, answered from cross-validated data.

What is Ag3SI?

Ag3SI is a metastable, semiconducting ternary compound containing silver, sulfur, and iodine that is primarily used in fundamental materials research.

More questions
What is Ag3SI used for?
Ag3SI is used in solid-state ionics research, fundamental materials science studies, and phase transition investigations.
What is the band gap of Ag3SI?
Ag3SI has a DFT-computed band gap of 0.17–0.62 eV across 28 reported structures.
Is Ag3SI a metal, semiconductor, or insulator?
With a band gap up to 0.62 eV it is a semiconductor.
Is Ag3SI thermodynamically stable?
Ag3SI has a lowest energy above hull of 0.067 eV/atom (metastable).
How many polymorphs of Ag3SI are known?
28 structures of Ag3SI are reported across 3 databases, spanning 7 distinct space groups.
What elements does Ag3SI contain?
Ag3SI contains Ag, I, and S (3 elements).
Where does the data for Ag3SI come from?
Ag3SI data is cross-referenced from latticegraph.
Comparison

How It Compares

As a unique ternary system, Ag3SI occupies a specialized niche in materials science where its metastability and semiconducting nature distinguish it from more conventional, highly stable inorganic insulators or conductors.

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

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