Cl2LiNa
Cl2LiNa is a metastable, insulating ternary halide compound composed of lithium, sodium, and chlorine.
About Cl2LiNa
Cl2LiNa is a complex halide compound characterized by its wide-band-gap insulating nature. As a metastable material, it represents a unique structural arrangement of lithium, sodium, and chlorine ions that exists outside of typical ground-state configurations.
Its electronic properties make it a subject of interest for researchers studying ion transport and dielectric behavior in multi-component halide systems. While not a common industrial material, its existence in multiple structural forms highlights the complexity of alkali metal halide interactions.
Key Properties
Cross-validated computational properties for Cl2LiNa, 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 Cl2LiNa, 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. |
|---|---|---|---|---|---|
| P4/mmm (No. 123) | tetragonal | 5.41 | 0.0357 | -6.560 | 2.14 |
| — | — | — | — | — | — |
| — | — | — | — | — | 2.06 |
Applications
Where Cl2LiNa is used.
Frequently Asked Questions
Common questions about Cl2LiNa, answered from cross-validated data.
What is Cl2LiNa?
Cl2LiNa is a metastable, insulating ternary halide compound composed of lithium, sodium, and chlorine.
What is Cl2LiNa used for?
What is the band gap of Cl2LiNa?
Is Cl2LiNa a metal, semiconductor, or insulator?
Is Cl2LiNa thermodynamically stable?
What is the crystal structure of Cl2LiNa?
What is the density of Cl2LiNa?
How many polymorphs of Cl2LiNa are known?
What elements does Cl2LiNa contain?
Where does the data for Cl2LiNa come from?
How It Compares
As a metastable halide, Cl2LiNa occupies a specialized niche within the broader family of alkali metal halides. Unlike highly stable, naturally occurring binary halides, this ternary compound requires specific synthesis conditions to maintain its structural integrity, serving as a model for understanding phase instability in complex ionic lattices.
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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