Cl4K2Mg
Cl4K2Mg is a stable, wide-gap insulating chloride compound characterized by its well-defined structural properties.
About Cl4K2Mg
Cl4K2Mg is a thermodynamically stable inorganic chloride that sits on the convex hull, indicating a robust energetic state. As a wide-gap insulator, it exhibits electronic properties characteristic of highly ionic halide frameworks, making it a subject of interest for fundamental solid-state research.
With multiple reported structures across various databases, this compound is a well-documented example of a complex halide. Its stability and insulating nature suggest potential utility in specialized chemical synthesis or as a model system for studying ionic lattice arrangements.
Key Properties
Cross-validated computational properties for Cl4K2Mg, 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 Cl4K2Mg, 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. |
|---|---|---|---|---|---|
| I4/mmm (No. 139) | tetragonal | 4.77 | 0.0000 | -3.865 | 2.14 |
| — | — | — | — | — | — |
| — | — | — | — | — | 2.16 |
| — | — | — | — | — | 2.16 |
Applications
Where Cl4K2Mg is used.
Frequently Asked Questions
Common questions about Cl4K2Mg, answered from cross-validated data.
What is Cl4K2Mg?
Cl4K2Mg is a stable, wide-gap insulating chloride compound characterized by its well-defined structural properties.
What is Cl4K2Mg used for?
What is the band gap of Cl4K2Mg?
Is Cl4K2Mg a metal, semiconductor, or insulator?
Is Cl4K2Mg thermodynamically stable?
What is the crystal structure of Cl4K2Mg?
What is the density of Cl4K2Mg?
How many polymorphs of Cl4K2Mg are known?
What elements does Cl4K2Mg contain?
Where does the data for Cl4K2Mg come from?
How It Compares
As a thermodynamically stable chloride, Cl4K2Mg serves as a foundational example of multi-cation halide chemistry, providing a stable reference point for understanding the structural diversity of complex inorganic salts.
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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