AgCl2Y

AgCl2Y is a semiconducting ternary compound consisting of silver, chlorine, and yttrium that shows promise for experimental synthesis.

AgClY
Overview

About AgCl2Y

AgCl2Y is a complex ternary inorganic compound composed of silver, chlorine, and yttrium. Its electronic character classifies it as a semiconductor, positioning it as a subject of interest for specialized electronic applications where specific charge carrier properties are required. The material is considered near-hull, indicating that it is thermodynamically favorable enough to be a candidate for experimental synthesis. With multiple reported structures across databases, it represents a stable configuration within its chemical system that warrants further investigation for functional device integration.

At a glance

Key Properties

Cross-validated computational properties for AgCl2Y, aggregated across 3 databases.

Band Gap

0.73–2.81 eV
Range across DFT structures

Energy Above Hull

0.011 eV/atom
Best (lowest) across sources

Stability

Near hull (likely stable)
2 DFT sources

Structures

5
3 databases, 2 space groups
Crystallography

Reported Structures

Lowest-energy structures reported for AgCl2Y, ranked by energy above hull.

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
R-3 (No. 148)trigonal2.810.0105-13.4734.40
F-43m (No. 216)0.73
5.00
3.27
4.38
Uses

Applications

Where AgCl2Y is used.

Semiconductor researchSolid-state chemistryMaterials science development
Reference

Frequently Asked Questions

Common questions about AgCl2Y, answered from cross-validated data.

What is AgCl2Y?

AgCl2Y is a semiconducting ternary compound consisting of silver, chlorine, and yttrium that shows promise for experimental synthesis.

More questions
What is AgCl2Y used for?
AgCl2Y is used in semiconductor research, solid-state chemistry, and materials science development.
What is the band gap of AgCl2Y?
AgCl2Y has a DFT-computed band gap of 0.73–2.81 eV across 5 reported structures.
Is AgCl2Y a metal, semiconductor, or insulator?
With a band gap up to 2.81 eV it is a semiconductor.
Is AgCl2Y thermodynamically stable?
AgCl2Y has a lowest energy above hull of 0.011 eV/atom (near hull (likely stable)).
What is the crystal structure of AgCl2Y?
The lowest-energy reported polymorph of AgCl2Y is trigonal symmetry, space group R-3 (No. 148).
What is the density of AgCl2Y?
The computed density of the ground-state structure of AgCl2Y is 4.40 g/cm³.
How many polymorphs of AgCl2Y are known?
5 structures of AgCl2Y are reported across 3 databases, spanning 2 distinct space groups.
What elements does AgCl2Y contain?
AgCl2Y contains Ag, Cl, and Y (3 elements).
Where does the data for AgCl2Y come from?
AgCl2Y data is cross-referenced from materials_project, nomad, omat24.
Comparison

How It Compares

As a unique ternary phase in this chemical system, AgCl2Y occupies a distinct niche by balancing its semiconducting nature with a structural stability that makes it a viable target for laboratory synthesis compared to more unstable, hypothetical configurations.

Data sources & attribution
  • materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
  • nomad — Data from NOMAD. Cite: Draxl & Scheffler, J. Phys. Mater. 2, 036001 (2019).
  • omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).

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