Cl6Cs3Dy
Cl6Cs3Dy is a metastable, insulating chloride compound containing cesium and dysprosium.
About Cl6Cs3Dy
Cl6Cs3Dy is a complex chloride material characterized by its wide-band-gap insulating nature. As a metastable compound, it represents a unique structural configuration that is of interest for fundamental studies in solid-state chemistry and materials science.
Its electronic properties make it a subject of investigation for specialized optical or dielectric applications where insulating behavior is required. The existence of multiple reported structures highlights its structural flexibility and the importance of precise synthesis conditions for stabilizing this specific phase.
Key Properties
Cross-validated computational properties for Cl6Cs3Dy, 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 Cl6Cs3Dy, 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 | 4.75 | 0.0275 | -16.790 | 3.07 |
| — | — | — | — | — | 3.08 |
| — | — | — | — | — | 3.04 |
| Fm-3m (No. 225) | — | — | — | — | — |
Applications
Where Cl6Cs3Dy is used.
Frequently Asked Questions
Common questions about Cl6Cs3Dy, answered from cross-validated data.
What is Cl6Cs3Dy?
Cl6Cs3Dy is a metastable, insulating chloride compound containing cesium and dysprosium.
What is Cl6Cs3Dy used for?
What is the band gap of Cl6Cs3Dy?
Is Cl6Cs3Dy a metal, semiconductor, or insulator?
Is Cl6Cs3Dy thermodynamically stable?
What is the crystal structure of Cl6Cs3Dy?
What is the density of Cl6Cs3Dy?
How many polymorphs of Cl6Cs3Dy are known?
What elements does Cl6Cs3Dy contain?
Where does the data for Cl6Cs3Dy come from?
How It Compares
As a unique chloride compound, Cl6Cs3Dy serves as a distinct example of rare-earth-doped halide systems. It occupies a specialized niche in materials research, providing a baseline for understanding how the integration of cesium and dysprosium within a chlorine framework influences overall thermodynamic stability and electronic performance.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
- nomad — Data from NOMAD. Cite: Draxl & Scheffler, J. Phys. Mater. 2, 036001 (2019).
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