CoF6Rb3
CoF6Rb3 is a thermodynamically stable, semiconducting fluoride compound composed of cobalt, fluorine, and rubidium.
About CoF6Rb3
CoF6Rb3 is a complex fluoride compound that exists in a thermodynamically stable state on the convex hull. As a semiconducting material, it represents a specialized inorganic structure characterized by the interaction of cobalt, fluorine, and rubidium ions within its lattice framework. The compound is notable for its structural diversity, with multiple reported configurations across various materials databases. This stability and electronic character make it an intriguing subject for fundamental studies in solid-state chemistry and materials design.
Key Properties
Cross-validated computational properties for CoF6Rb3, 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 CoF6Rb3, 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 | 2.91 | 0.0000 | -4.828 | 4.09 |
| — | — | — | — | — | — |
| — | — | — | — | — | 3.85 |
| — | — | — | — | — | 3.91 |
Frequently Asked Questions
Common questions about CoF6Rb3, answered from cross-validated data.
What is CoF6Rb3?
CoF6Rb3 is a thermodynamically stable, semiconducting fluoride compound composed of cobalt, fluorine, and rubidium.
What is the band gap of CoF6Rb3?
Is CoF6Rb3 a metal, semiconductor, or insulator?
Is CoF6Rb3 thermodynamically stable?
What is the crystal structure of CoF6Rb3?
What is the density of CoF6Rb3?
How many polymorphs of CoF6Rb3 are known?
What elements does CoF6Rb3 contain?
Where does the data for CoF6Rb3 come from?
How It Compares
As a distinct inorganic fluoride, CoF6Rb3 serves as a unique entry in the study of complex halide systems. Its thermodynamic stability distinguishes it as a robust candidate for further investigation into how specific ionic arrangements influence semiconducting behavior in multi-element fluoride lattices.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- alexandria — Data from alexandria.
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
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