Cs2F6PdRb
Cs2F6PdRb is a semiconducting quaternary fluoride compound that is considered a viable candidate for laboratory synthesis.
About Cs2F6PdRb
Cs2F6PdRb is a complex quaternary fluoride compound characterized by its semiconducting electronic behavior. As a material positioned near the thermodynamic hull, it represents a promising candidate for experimental synthesis and structural characterization within the broader landscape of palladium-based halides.
Its unique composition of cesium, rubidium, fluorine, and palladium suggests a complex crystal architecture that warrants further investigation. The existence of multiple reported structures across databases highlights its significance as a subject of ongoing computational and experimental interest.
Key Properties
Cross-validated computational properties for Cs2F6PdRb, 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 Cs2F6PdRb, 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 | 0.57 | 0.0133 | -4.433 | 4.41 |
| Fm-3m (No. 225) | cubic | 0.00 | 0.0258 | -4.421 | 4.44 |
| — | — | — | — | — | 4.04 |
| — | — | — | — | — | — |
Frequently Asked Questions
Common questions about Cs2F6PdRb, answered from cross-validated data.
What is Cs2F6PdRb?
Cs2F6PdRb is a semiconducting quaternary fluoride compound that is considered a viable candidate for laboratory synthesis.
What is the band gap of Cs2F6PdRb?
Is Cs2F6PdRb a metal, semiconductor, or insulator?
Is Cs2F6PdRb thermodynamically stable?
What is the crystal structure of Cs2F6PdRb?
What is the density of Cs2F6PdRb?
How many polymorphs of Cs2F6PdRb are known?
What elements does Cs2F6PdRb contain?
Where does the data for Cs2F6PdRb come from?
How It Compares
As a unique quaternary fluoride, Cs2F6PdRb occupies a distinct niche in materials science. Without direct structural siblings, it serves as a primary example of how incorporating multiple alkali metals into a palladium-fluoride framework can influence electronic properties and thermodynamic stability.
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).
- alexandria — Data from alexandria.
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