Cl12Cs4Sn4
Cl12Cs4Sn4 is a thermodynamically stable, semiconducting halide perovskite material used in the study of advanced photovoltaic and optoelectronic applications.
About Cl12Cs4Sn4
Cl12Cs4Sn4 is a semiconducting halide perovskite that occupies a stable position on the thermodynamic convex hull. As a member of the tin-based halide family, it represents a significant area of interest for researchers seeking alternatives to lead-based materials in optoelectronic devices.
Its structural diversity is evidenced by multiple reported configurations across various materials databases. This stability and electronic profile make it a compelling candidate for further investigation in the development of efficient and durable thin-film solar cell technologies.
Key Properties
Cross-validated computational properties for Cl12Cs4Sn4, aggregated across 4 databases.
Band GapEnergy needed to move an electron from the valence band to the conduction band. Lower or zero values tend to behave more metallic; larger gaps are more insulating or semiconducting.
Energy Above HullThermodynamic distance from the most stable set of competing phases. 0 eV/atom is on the convex hull; small positive values may still be experimentally accessible.
StabilityA plain-language summary of the best reported energy-above-hull result. It reflects whether the lowest-energy structure is on, near, or far from the stability hull.
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
Reported Structures
Lowest-energy structures reported for Cl12Cs4Sn4, ranked by energy above hull.
| Space GroupSymmetry classification of the crystal arrangement. The number is the international space-group index. | Crystal SystemBroad lattice family, such as cubic, tetragonal, monoclinic, or triclinic, derived from unit-cell symmetry. | Band Gap (eV)Electronic gap calculated for this specific reported structure, measured in electronvolts. | E above hull (eV/atom)Thermodynamic distance from the convex hull for this structure, normalized per atom. Lower is generally more stable. | E/atom (eV)Computed total energy normalized per atom. Use energy above hull, not this value alone, when comparing stability. | Density (g/cm³)Mass per relaxed crystal volume, reported in grams per cubic centimeter. |
|---|---|---|---|---|---|
| P21/c (No. 14) | monoclinic | 2.92 | 0.0000 | -15.240 | 3.36 |
| Pm-3m (No. 221) | cubic | 0.98 | 0.0227 | -15.217 | 3.45 |
| — | — | — | — | — | 3.38 |
| — | — | — | — | — | 2.98 |
| P21/c (No. 14) | — | — | — | — | — |
| P21/c (No. 14) | — | — | — | — | — |
Applications
Where Cl12Cs4Sn4 is used.
Frequently Asked Questions
Common questions about Cl12Cs4Sn4, answered from cross-validated data.
What is Cl12Cs4Sn4?
Cl12Cs4Sn4 is a thermodynamically stable, semiconducting halide perovskite material used in the study of advanced photovoltaic and optoelectronic applications.
What is Cl12Cs4Sn4 used for?
What is the band gap of Cl12Cs4Sn4?
Is Cl12Cs4Sn4 a metal, semiconductor, or insulator?
Is Cl12Cs4Sn4 thermodynamically stable?
What is the crystal structure of Cl12Cs4Sn4?
What is the density of Cl12Cs4Sn4?
How many polymorphs of Cl12Cs4Sn4 are known?
What elements does Cl12Cs4Sn4 contain?
Where does the data for Cl12Cs4Sn4 come from?
How It Compares
Within the halide perovskite photovoltaics class.
Within the broader class of halide perovskites, Cl12Cs4Sn4 serves as a chlorine-based counterpart to more commonly studied iodide or bromide variants like CsSnI3. While many perovskites in this class face challenges regarding environmental stability, the thermodynamic favorability of this compound distinguishes it from more volatile siblings like CsPbBr3, offering a unique structural framework for exploring halide-based semiconducting properties.
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).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
- nomad — Data from NOMAD. Cite: Draxl & Scheffler, J. Phys. Mater. 2, 036001 (2019).
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