Cl12Cs4Li8
Cl12Cs4Li8 is a thermodynamically stable, insulating complex chloride composed of lithium, cesium, and chlorine.
About Cl12Cs4Li8
Cl12Cs4Li8 is a complex chloride characterized by its wide-band-gap insulating electronic profile. As a material that resides on the convex hull, it exhibits significant thermodynamic stability, making it a robust candidate for fundamental studies in solid-state chemistry.
Its structural complexity is evidenced by multiple reported configurations across various databases. This stability and insulating nature suggest potential utility in specialized dielectric applications or as a model system for investigating lithium-cesium-chloride interactions.
Key Properties
Cross-validated computational properties for Cl12Cs4Li8, 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 Cl12Cs4Li8, 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. |
|---|---|---|---|---|---|
| Pbcn (No. 60) | orthorhombic | 5.33 | 0.0000 | -10.146 | 2.70 |
| Immm (No. 71) | orthorhombic | 5.32 | 0.0128 | -10.133 | 2.89 |
| Pbcn (No. 60) | — | — | — | — | — |
| — | — | — | — | — | 2.56 |
Applications
Where Cl12Cs4Li8 is used.
Frequently Asked Questions
Common questions about Cl12Cs4Li8, answered from cross-validated data.
What is Cl12Cs4Li8?
Cl12Cs4Li8 is a thermodynamically stable, insulating complex chloride composed of lithium, cesium, and chlorine.
What is Cl12Cs4Li8 used for?
What is the band gap of Cl12Cs4Li8?
Is Cl12Cs4Li8 a metal, semiconductor, or insulator?
Is Cl12Cs4Li8 thermodynamically stable?
What is the crystal structure of Cl12Cs4Li8?
What is the density of Cl12Cs4Li8?
How many polymorphs of Cl12Cs4Li8 are known?
What elements does Cl12Cs4Li8 contain?
Where does the data for Cl12Cs4Li8 come from?
How It Compares
As a thermodynamically stable complex chloride, this compound serves as a distinct point of reference for understanding the structural diversity of lithium-cesium-chlorine systems. It represents a well-defined phase within the broader class of alkali metal halides, offering a stable framework for researchers exploring ionic conductivity and insulating behavior in complex multi-component salts.
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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