Cl7Cs3Mg2
Cl7Cs3Mg2 is a ternary insulating halide compound that is theoretically stable enough to be synthesized for further material science research.
About Cl7Cs3Mg2
Cl7Cs3Mg2 is a complex halide compound characterized by its wide-band-gap insulating electronic structure. Its composition suggests a highly ionic nature, typical of ternary metal halides that exhibit distinct structural arrangements based on the coordination of magnesium and cesium ions within the chlorine lattice.
The material is considered to be near-hull in terms of thermodynamic stability, indicating that it is a likely candidate for successful laboratory synthesis. Given the limited data available, it represents an intriguing subject for researchers investigating the phase space of alkali-alkaline earth metal halides.
Key Properties
Cross-validated computational properties for Cl7Cs3Mg2, 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 Cl7Cs3Mg2, 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 | 4.38 | 0.0239 | -3.857 | 3.20 |
| I4/mmm (No. 139) | — | — | — | — | — |
| — | — | — | — | — | 3.18 |
Applications
Where Cl7Cs3Mg2 is used.
Frequently Asked Questions
Common questions about Cl7Cs3Mg2, answered from cross-validated data.
What is Cl7Cs3Mg2?
Cl7Cs3Mg2 is a ternary insulating halide compound that is theoretically stable enough to be synthesized for further material science research.
What is Cl7Cs3Mg2 used for?
What is the band gap of Cl7Cs3Mg2?
Is Cl7Cs3Mg2 a metal, semiconductor, or insulator?
Is Cl7Cs3Mg2 thermodynamically stable?
What is the crystal structure of Cl7Cs3Mg2?
What is the density of Cl7Cs3Mg2?
How many polymorphs of Cl7Cs3Mg2 are known?
What elements does Cl7Cs3Mg2 contain?
Where does the data for Cl7Cs3Mg2 come from?
How It Compares
As a member of the ternary halide family, Cl7Cs3Mg2 occupies a unique position in the structural landscape of insulating salts. While its specific properties are still being characterized, it serves as a representative example of how complex stoichiometry can influence the stability and electronic behavior of insulating halide frameworks.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
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