ZrCrAgS4

ZrCrAgS4 is a semiconducting quaternary sulfide compound that is considered a promising candidate for experimental synthesis due to its favorable thermodynamic stability.

AgCrSZr
Crystal structure of ZrCrAgS4
Ground-state structure · Materials Project
Overview

About ZrCrAgS4

ZrCrAgS4 is a complex quaternary sulfide composed of silver, chromium, zirconium, and sulfur. As a semiconducting material, it occupies a unique position in solid-state chemistry, drawing significant attention due to its electronic properties and potential for structural diversity.

Its thermodynamic profile places it near the stability hull, suggesting it is a viable candidate for experimental synthesis. With dozens of reported structural configurations across major databases, it remains a highly investigated subject for those exploring new functional inorganic materials.

At a glance

Key Properties

Cross-validated computational properties for ZrCrAgS4, aggregated across 3 databases.

Band Gap

0.38–0.80 eV
Range across DFT structures

Energy Above Hull

0.008 eV/atom
Best (lowest) across sources

Stability

Near hull (likely stable)
2 DFT sources

Structures

55
3 databases, 13 space groups
Uses

Applications

Where ZrCrAgS4 is used.

Advanced materials researchSolid-state electronic device developmentChalcogenide semiconductor studies
Reference

Frequently Asked Questions

Common questions about ZrCrAgS4, answered from cross-validated data.

What is ZrCrAgS4?

ZrCrAgS4 is a semiconducting quaternary sulfide compound that is considered a promising candidate for experimental synthesis due to its favorable thermodynamic stability.

More questions
What is ZrCrAgS4 used for?
ZrCrAgS4 is used in advanced materials research, solid-state electronic device development, and chalcogenide semiconductor studies.
What is the band gap of ZrCrAgS4?
ZrCrAgS4 has a DFT-computed band gap of 0.38–0.80 eV across 55 reported structures.
Is ZrCrAgS4 a metal, semiconductor, or insulator?
With a band gap up to 0.80 eV it is a semiconductor.
Is ZrCrAgS4 thermodynamically stable?
ZrCrAgS4 has a lowest energy above hull of 0.008 eV/atom (near hull (likely stable)).
How many polymorphs of ZrCrAgS4 are known?
55 structures of ZrCrAgS4 are reported across 3 databases, spanning 13 distinct space groups.
What elements does ZrCrAgS4 contain?
ZrCrAgS4 contains Ag, Cr, S, and Zr (4 elements).
Where does the data for ZrCrAgS4 come from?
ZrCrAgS4 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a quaternary sulfide, ZrCrAgS4 represents a specialized class of chalcogenide materials that balance multiple metallic cations within a sulfur framework. Unlike simpler binary or ternary systems, this compound offers a complex structural landscape that allows for fine-tuning of electronic behavior, positioning it as a distinct entry in the field of semiconducting sulfide research.

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

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