Cd6Cl18Cs6
Cd6Cl18Cs6 is a thermodynamically stable semiconducting compound composed of cadmium, chlorine, and cesium.
About Cd6Cl18Cs6
Cd6Cl18Cs6 is a complex halide compound featuring cadmium, chlorine, and cesium. As a thermodynamically stable material located on the convex hull, it represents a robust structural arrangement that is of significant interest for fundamental materials research.
Characterized as a semiconductor, this compound offers intriguing electronic properties that distinguish it from simpler ionic salts. Its structural complexity and stability make it a noteworthy subject for investigating the interplay between metal-halide frameworks and alkali metal cations.
Key Properties
Cross-validated computational properties for Cd6Cl18Cs6, 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 Cd6Cl18Cs6, 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. |
|---|---|---|---|---|---|
| P63/mmc (No. 194) | hexagonal | 2.49 | 0.0000 | -14.438 | 3.91 |
| Pm-3m (No. 221) | cubic | 1.75 | 0.0026 | -14.435 | 4.00 |
| P63/mmc (No. 194) | — | — | — | — | — |
| P63/mmc (No. 194) | — | — | — | — | — |
| — | — | — | — | — | 3.51 |
Applications
Where Cd6Cl18Cs6 is used.
Frequently Asked Questions
Common questions about Cd6Cl18Cs6, answered from cross-validated data.
What is Cd6Cl18Cs6?
Cd6Cl18Cs6 is a thermodynamically stable semiconducting compound composed of cadmium, chlorine, and cesium.
What is Cd6Cl18Cs6 used for?
What is the band gap of Cd6Cl18Cs6?
Is Cd6Cl18Cs6 a metal, semiconductor, or insulator?
Is Cd6Cl18Cs6 thermodynamically stable?
What is the crystal structure of Cd6Cl18Cs6?
What is the density of Cd6Cl18Cs6?
How many polymorphs of Cd6Cl18Cs6 are known?
What elements does Cd6Cl18Cs6 contain?
Where does the data for Cd6Cl18Cs6 come from?
How It Compares
As a unique member of the complex halide family, Cd6Cl18Cs6 serves as a primary example of how cadmium and cesium can coordinate within a chlorine-rich environment to achieve thermodynamic stability, setting a benchmark for future studies into similar multi-component halide systems.
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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