Cl12K4Sn2

Cl12K4Sn2 is a thermodynamically stable semiconducting halide perovskite used in materials science research for photovoltaic and optoelectronic applications.

Crystal structure of Cl12K4Sn2 (monoclinic, P21/c (No. 14))
Ground-state structure · Materials Project
Overview

About Cl12K4Sn2

Cl12K4Sn2 is a semiconducting halide perovskite characterized by its thermodynamic stability on the convex hull. As a member of the halide perovskite family, it represents a significant structural configuration within the broader landscape of metal-halide materials, supported by multiple reported crystalline structures across major databases. Its electronic nature makes it a subject of interest for researchers investigating the fundamental behavior of perovskite-based semiconductors. The material is primarily studied for its potential roles in advanced optoelectronic and photovoltaic applications. Its stability profile suggests it serves as a robust candidate for experimental synthesis and further characterization in thin-film device development.

At a glance

Key Properties

Cross-validated computational properties for Cl12K4Sn2, aggregated across 3 databases.

Band Gap

2.46–2.68 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

8
3 databases, 3 space groups
Crystallography

Reported Structures

Lowest-energy structures reported for Cl12K4Sn2, ranked by energy above hull.

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
P21/c (No. 14)monoclinic2.680.0000-3.7892.66
P4/mnc (No. 128)tetragonal2.460.0032-3.7862.69
Fm-3m (No. 225)cubic2.470.0078-3.7812.70
P4/mnc (No. 128)
P21/c (No. 14)
P4/mnc (No. 128)
2.12
P21/c (No. 14)
Uses

Applications

Where Cl12K4Sn2 is used.

Photovoltaic researchOptoelectronic device developmentSemiconductor materials study
Reference

Frequently Asked Questions

Common questions about Cl12K4Sn2, answered from cross-validated data.

What is Cl12K4Sn2?

Cl12K4Sn2 is a thermodynamically stable semiconducting halide perovskite used in materials science research for photovoltaic and optoelectronic applications.

More questions
What is Cl12K4Sn2 used for?
Cl12K4Sn2 is used in photovoltaic research, optoelectronic device development, and semiconductor materials study.
What is the band gap of Cl12K4Sn2?
Cl12K4Sn2 has a DFT-computed band gap of 2.46–2.68 eV across 8 reported structures.
Is Cl12K4Sn2 a metal, semiconductor, or insulator?
With a band gap up to 2.68 eV it is a semiconductor.
Is Cl12K4Sn2 thermodynamically stable?
Yes — Cl12K4Sn2 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of Cl12K4Sn2?
The lowest-energy reported polymorph of Cl12K4Sn2 is monoclinic symmetry, space group P21/c (No. 14).
What is the density of Cl12K4Sn2?
The computed density of the ground-state structure of Cl12K4Sn2 is 2.66 g/cm³.
How many polymorphs of Cl12K4Sn2 are known?
8 structures of Cl12K4Sn2 are reported across 3 databases, spanning 3 distinct space groups.
What elements does Cl12K4Sn2 contain?
Cl12K4Sn2 contains Cl, K, and Sn (3 elements).
Where does the data for Cl12K4Sn2 come from?
Cl12K4Sn2 data is cross-referenced from materials_project, aflow, omat24.
Comparison

How It Compares

Within the halide perovskite photovoltaics class.

Within the diverse class of halide perovskites, Cl12K4Sn2 occupies a distinct position compared to well-known members like CsSnI3 or CsPbBr3. While many of its siblings are heavily utilized in high-efficiency solar cell prototypes, Cl12K4Sn2 is distinguished by its specific stoichiometry and thermodynamic placement, offering a different structural template for exploring the electronic tunability inherent to the perovskite framework.

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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