RbSbF6
RbSbF6 is a stable, wide-band-gap insulating compound composed of rubidium, antimony, and fluorine.
About RbSbF6
RbSbF6 is a distinct inorganic compound characterized by its insulating electronic nature and wide band gap. As a thermodynamically stable material residing on the convex hull, it represents a robust structural configuration within its chemical family.
Its stability and electronic properties make it a subject of interest for researchers investigating specialized dielectric or optical materials. The compound has been documented with multiple structural variations, highlighting its versatility in solid-state chemistry.
Key Properties
Cross-validated computational properties for RbSbF6, 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.
Cross-Source DFT Agreement
How well independent DFT databases agree on the thermodynamics of RbSbF6. Tight agreement means computed properties can be trusted without re-running calculations.
Agreement ScoreA normalized confidence score summarizing how closely independent DFT databases agree. Higher scores mean tighter cross-source agreement.
Hull SpreadDifference between the highest and lowest energy-above-hull values reported by comparable sources. Smaller spread means less thermodynamic disagreement.
Sources ComparedNumber and names of computational sources with comparable entries for this formula.
Space Group ConsensusWhether independent sources predict the same crystal symmetry for the lowest-energy structure.
Reported Structures
Lowest-energy structures reported for RbSbF6, 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. |
|---|---|---|---|---|---|
| R-3 (No. 148) | trigonal | 4.97 | 0.0000 | -2.663 | — |
| — | — | 4.93 | 0.0000 | -2.831 | — |
| R-3 (No. 148) | trigonal | 4.90 | 0.0000 | -4.982 | 4.25 |
| — | — | 5.21 | 0.0081 | -2.823 | — |
| — | — | 5.46 | 0.0373 | -2.794 | — |
| — | — | 5.99 | 0.0401 | -2.791 | — |
| R-3 (No. 148) | trigonal | — | — | — | 3.83 |
| R-3 (No. 148) | trigonal | — | — | — | 3.73 |
| R-3 (No. 148) | trigonal | — | — | — | 3.98 |
Frequently Asked Questions
Common questions about RbSbF6, answered from cross-validated data.
What is RbSbF6?
RbSbF6 is a stable, wide-band-gap insulating compound composed of rubidium, antimony, and fluorine.
What is the band gap of RbSbF6?
Is RbSbF6 a metal, semiconductor, or insulator?
Is RbSbF6 thermodynamically stable?
What is the crystal structure of RbSbF6?
How many polymorphs of RbSbF6 are known?
What elements does RbSbF6 contain?
Where does the data for RbSbF6 come from?
How It Compares
As a unique entry in its chemical class, RbSbF6 serves as a stable reference point for understanding the structural behavior of fluorinated antimonates. Its position on the convex hull demonstrates a high degree of thermodynamic favorability compared to less stable configurations in similar systems.
Data sources & attribution
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
- oqmd — Data from the OQMD (oqmd.org). Cite: Saal et al., JOM 65, 1501 (2013); Kirklin et al., npj Comp. Mater. 1, 15010 (2015). (CC-BY-4.0)
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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