Cl6Cs2Pb
cesium lead chloride · Cs2PbCl6
Cl6Cs2Pb is a thermodynamically stable semiconducting halide perovskite used in materials research for optoelectronic applications.
About cesium lead chloride
Cl6Cs2Pb is a semiconducting halide perovskite that occupies a stable position on the thermodynamic convex hull. Its structural integrity makes it a subject of interest for researchers investigating the fundamental behaviors of lead-based halide frameworks in solid-state devices.
As a member of the halide perovskite family, this compound is primarily studied for its electronic properties and potential integration into next-generation photovoltaic and light-emitting technologies. Its existence across multiple crystallographic databases underscores its importance as a benchmark material in materials informatics.
Key Properties
Cross-validated computational properties for cesium lead chloride, aggregated across 3 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 Cl6Cs2Pb, 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. |
|---|---|---|---|---|---|
| Fm-3m (No. 225) | cubic | 1.45 | 0.0000 | -3.589 | 3.88 |
| Fm-3m (No. 225) | — | — | — | — | — |
| — | — | — | — | — | 3.59 |
Applications
Where cesium lead chloride is used.
Frequently Asked Questions
Common questions about cesium lead chloride, answered from cross-validated data.
What is Cl6Cs2Pb?
Cl6Cs2Pb is a thermodynamically stable semiconducting halide perovskite used in materials research for optoelectronic applications.
What is Cl6Cs2Pb used for?
What is the band gap of Cl6Cs2Pb?
Is Cl6Cs2Pb a metal, semiconductor, or insulator?
Is Cl6Cs2Pb thermodynamically stable?
What is the crystal structure of Cl6Cs2Pb?
What is the density of Cl6Cs2Pb?
How many polymorphs of Cl6Cs2Pb are known?
What elements does Cl6Cs2Pb contain?
Where does the data for Cl6Cs2Pb come from?
How It Compares
Within the halide perovskite photovoltaics class.
Within the diverse landscape of halide perovskites, Cl6Cs2Pb is distinguished by its high thermodynamic stability compared to more volatile or moisture-sensitive counterparts like CsPbBr3 or CsSnI3. While many perovskites in this class are pursued for their narrow band gaps, this chloride-based variant offers a different electronic profile that complements the broader structural diversity seen in materials like RbPbF3.
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).
- 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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