Cl6K3La
Cl6K3La is an insulating ternary chloride compound composed of potassium, lanthanum, and chlorine.
About Cl6K3La
Cl6K3La is a complex chloride compound characterized by its wide-band-gap insulating electronic profile. As a multi-component halide, it represents a niche structural arrangement of potassium, lanthanum, and chlorine atoms, reflecting the diverse coordination chemistry possible within ternary chloride systems.
While this compound is noted for its structural variety across multiple databases, its position above the thermodynamic hull suggests it may be metastable under standard conditions. Its study is primarily focused on understanding the fundamental bonding and structural stability of lanthanum-based halide complexes.
Key Properties
Cross-validated computational properties for Cl6K3La, 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 Cl6K3La, 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 | 4.57 | 0.1049 | -10.782 | 2.04 |
| — | — | — | — | — | — |
| — | — | — | — | — | 2.06 |
| — | — | — | — | — | 2.14 |
Applications
Where Cl6K3La is used.
Frequently Asked Questions
Common questions about Cl6K3La, answered from cross-validated data.
What is Cl6K3La?
Cl6K3La is an insulating ternary chloride compound composed of potassium, lanthanum, and chlorine.
What is Cl6K3La used for?
What is the band gap of Cl6K3La?
Is Cl6K3La a metal, semiconductor, or insulator?
Is Cl6K3La thermodynamically stable?
What is the crystal structure of Cl6K3La?
What is the density of Cl6K3La?
How many polymorphs of Cl6K3La are known?
What elements does Cl6K3La contain?
Where does the data for Cl6K3La come from?
How It Compares
As a unique ternary chloride, Cl6K3La serves as a specific case study in the broader landscape of lanthanum-potassium halide systems, where the interplay between ionic radii and coordination geometry dictates the formation of complex lattice structures.
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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