Cl8Cs2Li6
Cl8Cs2Li6 is a metastable, wide-band-gap insulating compound composed of lithium, cesium, and chlorine.
About Cl8Cs2Li6
Cl8Cs2Li6 is a complex inorganic compound characterized by its insulating electronic nature. As a wide-band-gap material, it exhibits distinct dielectric properties that are of interest for fundamental research into halide-based solid-state systems.
This material is classified as metastable, suggesting that its synthesis requires precise control over thermodynamic conditions. Its existence across multiple structural databases highlights its role as a subject of interest for researchers mapping the phase space of lithium-cesium-chloride systems.
Key Properties
Cross-validated computational properties for Cl8Cs2Li6, 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 Cl8Cs2Li6, 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. |
|---|---|---|---|---|---|
| Cmcm (No. 63) | orthorhombic | 5.45 | 0.0284 | -9.155 | 2.61 |
| — | — | — | — | — | 2.29 |
| Cmcm (No. 63) | — | — | — | — | — |
Frequently Asked Questions
Common questions about Cl8Cs2Li6, answered from cross-validated data.
What is Cl8Cs2Li6?
Cl8Cs2Li6 is a metastable, wide-band-gap insulating compound composed of lithium, cesium, and chlorine.
What is the band gap of Cl8Cs2Li6?
Is Cl8Cs2Li6 a metal, semiconductor, or insulator?
Is Cl8Cs2Li6 thermodynamically stable?
What is the crystal structure of Cl8Cs2Li6?
What is the density of Cl8Cs2Li6?
How many polymorphs of Cl8Cs2Li6 are known?
What elements does Cl8Cs2Li6 contain?
Where does the data for Cl8Cs2Li6 come from?
How It Compares
As a unique member of the lithium-cesium-chloride family, this compound serves as a distinct point of study for understanding how alkali metal ratios influence structural stability in insulating halide lattices.
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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