RbPbCl3
RbPbCl3 is a thermodynamically stable, wide-gap insulating halide perovskite used primarily in fundamental materials research.
About RbPbCl3
RbPbCl3 is a structurally robust member of the halide perovskite family. As a thermodynamically stable compound, it maintains a well-defined crystalline arrangement that makes it a significant subject for structural analysis within materials science databases. Its insulating electronic character distinguishes it from the highly conductive semiconductors typically associated with solar energy conversion, marking it as a unique candidate for fundamental studies in perovskite physics. The material is frequently investigated for its potential in optoelectronic applications where wide-gap insulating properties are required. Its presence on the convex hull ensures that it remains a reliable reference point for researchers exploring the stability limits of lead-based halide frameworks.
Key Properties
Cross-validated computational properties for RbPbCl3, 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 RbPbCl3. 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 RbPbCl3, 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. |
|---|---|---|---|---|---|
| — | — | 3.42 | 0.0000 | -1.719 | — |
| Cmcm (No. 63) | orthorhombic | 3.32 | 0.0000 | -1.582 | — |
| Cmcm (No. 63) | orthorhombic | 3.26 | 0.0000 | -3.915 | 4.12 |
| — | — | 2.23 | 0.0327 | -1.687 | — |
| Cm (No. 8) | monoclinic | 2.19 | 0.0381 | -3.876 | 3.55 |
| Pm-3m (No. 221) | cubic | 2.20 | 0.0384 | -3.876 | 3.53 |
| — | — | 3.65 | 0.0531 | -1.666 | — |
| Pm-3m (No. 221) | cubic | 2.11 | 0.0610 | -1.521 | — |
| Pm (No. 6) | monoclinic | 2.53 | 0.0723 | -1.510 | — |
| Pm-3m (No. 221) | cubic | 2.09 | 0.0727 | -1.510 | — |
| Cm (No. 8) | monoclinic | — | — | — | 3.64 |
| Cmcm (No. 63) | orthorhombic | — | — | — | 3.93 |
Applications
Where RbPbCl3 is used.
Frequently Asked Questions
Common questions about RbPbCl3, answered from cross-validated data.
What is RbPbCl3?
RbPbCl3 is a thermodynamically stable, wide-gap insulating halide perovskite used primarily in fundamental materials research.
What is RbPbCl3 used for?
What is the band gap of RbPbCl3?
Is RbPbCl3 a metal, semiconductor, or insulator?
Is RbPbCl3 thermodynamically stable?
What is the crystal structure of RbPbCl3?
How many polymorphs of RbPbCl3 are known?
What elements does RbPbCl3 contain?
Where does the data for RbPbCl3 come from?
How It Compares
Within the halide perovskite photovoltaics class.
Within the broader class of halide perovskites, RbPbCl3 serves as a stable, wide-gap counterpart to more commonly studied semiconductors like CsPbBr3 and CsSnI3. While many members of this class are optimized for narrow-gap photovoltaic performance, RbPbCl3 provides a contrast in electronic behavior, functioning more as an insulator compared to the highly active, narrow-gap members like CsSnI3 or the fluoride-based variants such as RbPbF3.
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)
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
- 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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