Ag2Cl4Cs2

Ag2Cl4Cs2 is a thermodynamically stable semiconducting halide perovskite used in materials science research for potential photovoltaic and optoelectronic applications.

Crystal structure of Ag2Cl4Cs2 (tetragonal, P4/nmm (No. 129))
Ground-state structure · Materials Project
Overview

About Ag2Cl4Cs2

Ag2Cl4Cs2 is a semiconducting halide perovskite characterized by its robust thermodynamic stability. As a member of the halide perovskite family, it occupies a position on the convex hull, indicating a favorable energy state that makes it a subject of interest for structural and electronic investigations.

This compound is primarily studied within the context of photovoltaic materials research. Its unique arrangement of silver, chlorine, and cesium ions contributes to its semiconducting nature, positioning it as a candidate for exploring alternative light-harvesting architectures in optoelectronic devices.

At a glance

Key Properties

Cross-validated computational properties for Ag2Cl4Cs2, aggregated across 3 databases.

Band Gap

2.20–2.34 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

4
3 databases, 2 space groups
Crystallography

Reported Structures

Lowest-energy structures reported for Ag2Cl4Cs2, ranked by energy above hull.

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
P4/nmm (No. 129)tetragonal2.200.0000-16.0904.09
Cmcm (No. 63)orthorhombic2.340.0035-16.0864.30
P4/nmm (No. 129)
3.58
Uses

Applications

Where Ag2Cl4Cs2 is used.

Photovoltaic researchOptoelectronic device developmentSemiconductor materials study
Reference

Frequently Asked Questions

Common questions about Ag2Cl4Cs2, answered from cross-validated data.

What is Ag2Cl4Cs2?

Ag2Cl4Cs2 is a thermodynamically stable semiconducting halide perovskite used in materials science research for potential photovoltaic and optoelectronic applications.

More questions
What is Ag2Cl4Cs2 used for?
Ag2Cl4Cs2 is used in photovoltaic research, optoelectronic device development, and semiconductor materials study.
What is the band gap of Ag2Cl4Cs2?
Ag2Cl4Cs2 has a DFT-computed band gap of 2.20–2.34 eV across 4 reported structures.
Is Ag2Cl4Cs2 a metal, semiconductor, or insulator?
With a band gap up to 2.34 eV it is a semiconductor.
Is Ag2Cl4Cs2 thermodynamically stable?
Yes — Ag2Cl4Cs2 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of Ag2Cl4Cs2?
The lowest-energy reported polymorph of Ag2Cl4Cs2 is tetragonal symmetry, space group P4/nmm (No. 129).
What is the density of Ag2Cl4Cs2?
The computed density of the ground-state structure of Ag2Cl4Cs2 is 4.09 g/cm³.
How many polymorphs of Ag2Cl4Cs2 are known?
4 structures of Ag2Cl4Cs2 are reported across 3 databases, spanning 2 distinct space groups.
What elements does Ag2Cl4Cs2 contain?
Ag2Cl4Cs2 contains Ag, Cl, and Cs (3 elements).
Where does the data for Ag2Cl4Cs2 come from?
Ag2Cl4Cs2 data is cross-referenced from materials_project, aflow, omat24.
Comparison

How It Compares

Within the halide perovskite photovoltaics class.

While many halide perovskites like CsPbBr3 and CsSnI3 are heavily researched for their exceptional charge-carrier mobility in solar cells, Ag2Cl4Cs2 represents a distinct structural variant within this broad class. Unlike the lead-based perovskites that dominate the field, this silver-containing compound offers a different chemical landscape, providing researchers with a stable platform to study the effects of metal substitution on the electronic properties of halide frameworks.

Explore

Related Compounds

Other Halide Perovskite Photovoltaics in the database.

Data sources & attribution
  • materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
  • aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
  • omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).

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