RbBiF6
RbBiF6 is a stable, semiconducting halide perovskite material studied for its potential applications in advanced photovoltaic and optoelectronic technologies.
About RbBiF6
RbBiF6 is a semiconducting halide perovskite that stands out for its thermodynamic stability, sitting directly on the convex hull. This stability makes it a compelling subject for researchers investigating robust materials for next-generation optoelectronic and photovoltaic technologies.
As a member of the halide perovskite class, it exhibits a distinct electronic character that is highly valued for its potential in energy conversion. With multiple reported structures across various databases, it represents a well-characterized candidate for further experimental exploration in solid-state devices.
Key Properties
Cross-validated computational properties for RbBiF6, 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 RbBiF6. 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 RbBiF6, 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. |
|---|---|---|---|---|---|
| — | — | 2.89 | 0.0000 | -2.460 | — |
| R-3 (No. 148) | trigonal | 2.64 | 0.0000 | -4.574 | 5.13 |
| R-3 (No. 148) | trigonal | 2.52 | 0.0000 | -2.288 | — |
| — | — | 2.85 | 0.0371 | -2.422 | — |
| R-3 (No. 148) | trigonal | — | — | — | 4.46 |
| R-3 (No. 148) | trigonal | — | — | — | 4.74 |
| R-3 (No. 148) | trigonal | — | — | — | 4.60 |
| R-3 (No. 148) | trigonal | — | — | — | 5.01 |
Applications
Where RbBiF6 is used.
Frequently Asked Questions
Common questions about RbBiF6, answered from cross-validated data.
What is RbBiF6?
RbBiF6 is a stable, semiconducting halide perovskite material studied for its potential applications in advanced photovoltaic and optoelectronic technologies.
What is RbBiF6 used for?
What is the band gap of RbBiF6?
Is RbBiF6 a metal, semiconductor, or insulator?
Is RbBiF6 thermodynamically stable?
What is the crystal structure of RbBiF6?
What is the density of RbBiF6?
How many polymorphs of RbBiF6 are known?
What elements does RbBiF6 contain?
Where does the data for RbBiF6 come from?
How It Compares
Within the halide perovskite photovoltaics class.
Within the diverse landscape of halide perovskites, RbBiF6 distinguishes itself through its thermodynamic robustness compared to more volatile or moisture-sensitive members like CsSnI3. While siblings such as RbPbF3 share similar structural motifs, RbBiF6 offers a unique chemical composition that allows researchers to tune electronic properties while maintaining the stability required for practical device integration.
Related Compounds
Other Halide Perovskite Photovoltaics in the database.
Data sources & attribution
- 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)
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
- cod — Data from the Crystallography Open Database (crystallography.net/cod/). Cite: Grazulis et al., J. Appl. Cryst. 42, 726 (2009). (CC0-1.0)
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