Cl6ErK2Li
Cl6ErK2Li is an insulating halide compound being investigated as a potential solid electrolyte material for battery technology.
About Cl6ErK2Li
Cl6ErK2Li is a complex halide compound categorized within the family of solid electrolytes. As a wide-band-gap insulator, it possesses the electronic properties necessary to prevent internal short-circuiting while facilitating ion transport in electrochemical devices.
This material is recognized for its near-hull thermodynamic stability, suggesting it is a viable candidate for experimental synthesis. Its structural characteristics make it a subject of interest for researchers seeking to optimize solid-state ionic conductors for next-generation energy storage.
Key Properties
Cross-validated computational properties for Cl6ErK2Li, 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 Cl6ErK2Li, 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 | 5.05 | 0.0207 | -10.830 | 2.79 |
| — | — | — | — | — | — |
| — | — | — | — | — | 2.16 |
| — | — | — | — | — | 2.27 |
Applications
Where Cl6ErK2Li is used.
Frequently Asked Questions
Common questions about Cl6ErK2Li, answered from cross-validated data.
What is Cl6ErK2Li?
Cl6ErK2Li is an insulating halide compound being investigated as a potential solid electrolyte material for battery technology.
What is Cl6ErK2Li used for?
What is the band gap of Cl6ErK2Li?
Is Cl6ErK2Li a metal, semiconductor, or insulator?
Is Cl6ErK2Li thermodynamically stable?
What is the crystal structure of Cl6ErK2Li?
What is the density of Cl6ErK2Li?
How many polymorphs of Cl6ErK2Li are known?
What elements does Cl6ErK2Li contain?
Where does the data for Cl6ErK2Li come from?
How It Compares
Within the halide solid electrolytes class.
Within the diverse landscape of halide solid electrolytes, Cl6ErK2Li occupies a distinct niche compared to larger cluster compounds like Cl48Er8K16Li8. While many members of this class, such as Cl12Li6Sc2, are explored for their specific lattice dynamics and ionic mobility, Cl6ErK2Li represents a more compact stoichiometry that offers unique pathways for structural tuning and phase stability.
Related Compounds
Other Halide Solid Electrolytes in the database.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- alexandria — Data from alexandria.
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
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