Cl6Cs2PrRb
Cl6Cs2PrRb is a metastable, insulating halide compound composed of cesium, rubidium, praseodymium, and chlorine.
About Cl6Cs2PrRb
Cl6Cs2PrRb is a complex halide compound characterized by its wide-band-gap insulating electronic profile. As a metastable material, it represents a unique structural configuration within the broader landscape of complex chloride systems, offering researchers a distinct platform for studying rare-earth coordination chemistry.
Its significance lies in its specific compositional arrangement, which influences its structural stability and electronic behavior. While it remains a specialized subject of study, its insulating nature makes it a candidate for fundamental research into dielectric properties and optical materials where wide-gap behavior is required.
Key Properties
Cross-validated computational properties for Cl6Cs2PrRb, 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 Cl6Cs2PrRb, 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 | 4.83 | 0.0303 | -4.339 | 2.85 |
| — | — | — | — | — | 2.85 |
| Fm-3m (No. 225) | — | — | — | — | — |
Applications
Where Cl6Cs2PrRb is used.
Frequently Asked Questions
Common questions about Cl6Cs2PrRb, answered from cross-validated data.
What is Cl6Cs2PrRb?
Cl6Cs2PrRb is a metastable, insulating halide compound composed of cesium, rubidium, praseodymium, and chlorine.
What is Cl6Cs2PrRb used for?
What is the band gap of Cl6Cs2PrRb?
Is Cl6Cs2PrRb a metal, semiconductor, or insulator?
Is Cl6Cs2PrRb thermodynamically stable?
What is the crystal structure of Cl6Cs2PrRb?
What is the density of Cl6Cs2PrRb?
How many polymorphs of Cl6Cs2PrRb are known?
What elements does Cl6Cs2PrRb contain?
Where does the data for Cl6Cs2PrRb come from?
How It Compares
As a unique halide structure, Cl6Cs2PrRb serves as a distinct entry point for exploring how the combination of cesium, rubidium, and praseodymium cations within a chloride framework dictates material 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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