Cl12Cs8Pb2
Cl12Cs8Pb2 is a thermodynamically stable, wide-gap insulating halide compound used in materials science research.
About Cl12Cs8Pb2
Cl12Cs8Pb2 is a halide-based material that functions as a wide-gap insulator within the broader perovskite family. Its position on the convex hull indicates high thermodynamic stability, making it a robust subject for structural analysis and fundamental materials characterization. This compound is primarily utilized in research settings to explore the electronic behavior of complex halide lattices. Its stable framework provides a reliable platform for investigating the interplay between heavy metal cations and halogen coordination in solid-state systems.
Key Properties
Cross-validated computational properties for Cl12Cs8Pb2, 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 Cl12Cs8Pb2, 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. |
|---|---|---|---|---|---|
| R-3c (No. 167) | trigonal | 4.29 | 0.0000 | -3.772 | 3.72 |
| — | — | — | — | — | 3.19 |
| R-3c (No. 167) | — | — | — | — | — |
| R-3c (No. 167) | — | — | — | — | — |
| R-3c (No. 167) | — | — | — | — | — |
| R-3c (No. 167) | — | — | — | — | — |
Applications
Where Cl12Cs8Pb2 is used.
Frequently Asked Questions
Common questions about Cl12Cs8Pb2, answered from cross-validated data.
What is Cl12Cs8Pb2?
Cl12Cs8Pb2 is a thermodynamically stable, wide-gap insulating halide compound used in materials science research.
What is Cl12Cs8Pb2 used for?
What is the band gap of Cl12Cs8Pb2?
Is Cl12Cs8Pb2 a metal, semiconductor, or insulator?
Is Cl12Cs8Pb2 thermodynamically stable?
What is the crystal structure of Cl12Cs8Pb2?
What is the density of Cl12Cs8Pb2?
How many polymorphs of Cl12Cs8Pb2 are known?
What elements does Cl12Cs8Pb2 contain?
Where does the data for Cl12Cs8Pb2 come from?
How It Compares
Within the halide perovskite photovoltaics class.
Unlike the highly conductive and widely studied photovoltaic material CsPbBr3, this compound exhibits insulating electronic character. While many members of the halide perovskite class, such as CsSnI3, are optimized for charge transport in optoelectronic devices, Cl12Cs8Pb2 serves as a stable, wide-gap structural analog that helps define the compositional boundaries of the perovskite phase space.
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).
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