RbPbF3
RbPbF3 is a thermodynamically stable, wide-gap insulating halide perovskite used in materials science research.
About RbPbF3
RbPbF3 is a thermodynamically stable inorganic compound belonging to the halide perovskite class. As a wide-gap insulating material, it occupies a distinct niche in the study of perovskite-structured solids, characterized by a robust structural framework that sits securely on the convex hull.
Its significance lies in its structural diversity, with numerous reported configurations across major materials databases. This data-rich profile makes it a valuable subject for researchers investigating the fundamental stability and electronic behavior of lead-based fluoride perovskites in optoelectronic applications.
Key Properties
Cross-validated computational properties for RbPbF3, 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 RbPbF3. 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 RbPbF3, 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. |
|---|---|---|---|---|---|
| Pnma (No. 62) | orthorhombic | 4.58 | 0.0000 | -4.873 | 5.71 |
| — | — | 4.12 | 0.0000 | -2.741 | — |
| R3c (No. 161) | trigonal | 4.00 | 0.0025 | -2.651 | — |
| R3c (No. 161) | trigonal | 4.00 | 0.0025 | -2.651 | — |
| P1 (No. 1) | triclinic | 4.10 | 0.0066 | -2.647 | — |
| Pm (No. 6) | monoclinic | 3.69 | 0.0068 | -2.647 | — |
| R3c (No. 161) | trigonal | 4.47 | 0.0070 | -4.866 | 5.68 |
| Cc (No. 9) | monoclinic | 3.79 | 0.0073 | -4.866 | 5.68 |
| — | — | 2.84 | 0.0189 | -2.722 | — |
| P-1 (No. 2) | triclinic | 4.02 | 0.0228 | -4.850 | 5.14 |
| — | — | 3.03 | 0.0293 | -2.712 | — |
| Pm-3m (No. 221) | cubic | 3.02 | 0.0325 | -2.621 | — |
Applications
Where RbPbF3 is used.
Frequently Asked Questions
Common questions about RbPbF3, answered from cross-validated data.
What is RbPbF3?
RbPbF3 is a thermodynamically stable, wide-gap insulating halide perovskite used in materials science research.
What is RbPbF3 used for?
What is the band gap of RbPbF3?
Is RbPbF3 a metal, semiconductor, or insulator?
Is RbPbF3 thermodynamically stable?
What is the crystal structure of RbPbF3?
How many polymorphs of RbPbF3 are known?
What elements does RbPbF3 contain?
Where does the data for RbPbF3 come from?
How It Compares
Within the halide perovskite photovoltaics class.
Unlike the highly conductive and widely utilized photovoltaic candidates such as CsPbBr3 or CsSnI3, RbPbF3 functions primarily as a wide-gap insulator, highlighting the significant electronic variance possible within the broader halide perovskite family.
Related Compounds
Other Halide Perovskite Photovoltaics in the database.
Data sources & attribution
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
- 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)
- 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.
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