Cl8Cs4Li4
Cl8Cs4Li4 is a stable, wide-gap insulating halide compound composed of lithium, cesium, and chlorine.
About Cl8Cs4Li4
Cl8Cs4Li4 is a complex inorganic halide that exists as a thermodynamically stable phase on the convex hull. Its electronic character is defined by a wide band gap, classifying it as a robust insulator with significant potential for fundamental research in solid-state chemistry.
Given its presence across multiple structural databases, this compound serves as a critical reference point for understanding lithium-cesium-chloride interactions. Its stability makes it an intriguing subject for investigating ionic transport and insulating behavior in multi-component halide systems.
Key Properties
Cross-validated computational properties for Cl8Cs4Li4, 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 Cl8Cs4Li4, 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. |
|---|---|---|---|---|---|
| C2/c (No. 15) | monoclinic | 5.11 | 0.0000 | -12.066 | 2.92 |
| P4/nmm (No. 129) | tetragonal | 5.03 | 0.0092 | -12.057 | 3.08 |
| — | — | — | — | — | 2.46 |
| C2/c (No. 15) | — | — | — | — | — |
| — | — | — | — | — | 2.15 |
Applications
Where Cl8Cs4Li4 is used.
Frequently Asked Questions
Common questions about Cl8Cs4Li4, answered from cross-validated data.
What is Cl8Cs4Li4?
Cl8Cs4Li4 is a stable, wide-gap insulating halide compound composed of lithium, cesium, and chlorine.
What is Cl8Cs4Li4 used for?
What is the band gap of Cl8Cs4Li4?
Is Cl8Cs4Li4 a metal, semiconductor, or insulator?
Is Cl8Cs4Li4 thermodynamically stable?
What is the crystal structure of Cl8Cs4Li4?
What is the density of Cl8Cs4Li4?
How many polymorphs of Cl8Cs4Li4 are known?
What elements does Cl8Cs4Li4 contain?
Where does the data for Cl8Cs4Li4 come from?
How It Compares
As a unique multi-component halide, Cl8Cs4Li4 represents a distinct structural arrangement within the broader family of alkali metal chlorides. It stands out for its thermodynamic stability, which distinguishes it from more transient or metastable phases that often appear in complex halide synthesis.
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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