RbBiF4
RbBiF4 is a metastable, wide-gap insulating halide compound studied for its structural properties within the perovskite materials family.
About RbBiF4
RbBiF4 is a complex halide compound belonging to the broader family of halide perovskite materials. Characterized by its wide-gap insulating electronic structure, it represents a specialized niche within the class, often studied for its structural diversity and potential in optoelectronic research.
As a metastable phase, this compound is of significant interest to materials scientists investigating phase stability and structural transitions. Its existence across multiple reported structures highlights its complexity and the ongoing efforts to map its potential utility in advanced semiconductor applications.
Key Properties
Cross-validated computational properties for RbBiF4, 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 RbBiF4. 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 RbBiF4, 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. |
|---|---|---|---|---|---|
| — | — | 4.46 | 0.0140 | -2.784 | — |
| — | — | 0.00 | 0.0164 | -2.782 | — |
| — | — | 3.41 | 0.0172 | -2.781 | — |
| Fd-3m (No. 227) | cubic | 3.01 | 0.0177 | -2.666 | — |
| Fd-3m (No. 227) | cubic | 2.88 | 0.0558 | -4.902 | 5.59 |
| P1 (No. 1) | triclinic | 3.47 | 0.1120 | -4.846 | 5.03 |
| P1 (No. 1) | triclinic | — | — | — | 5.16 |
| P1 (No. 1) | triclinic | — | — | — | 5.24 |
| Fd-3m (No. 227) | cubic | — | — | — | 5.82 |
| Fd-3m (No. 227) | cubic | — | — | — | 5.88 |
| Fd-3m (No. 227) | cubic | — | — | — | 5.59 |
| P1 (No. 1) | triclinic | — | — | — | 5.03 |
Applications
Where RbBiF4 is used.
Frequently Asked Questions
Common questions about RbBiF4, answered from cross-validated data.
What is RbBiF4?
RbBiF4 is a metastable, wide-gap insulating halide compound studied for its structural properties within the perovskite materials family.
What is RbBiF4 used for?
What is the band gap of RbBiF4?
Is RbBiF4 a metal, semiconductor, or insulator?
Is RbBiF4 thermodynamically stable?
What is the crystal structure of RbBiF4?
How many polymorphs of RbBiF4 are known?
What elements does RbBiF4 contain?
Where does the data for RbBiF4 come from?
How It Compares
Within the halide perovskite photovoltaics class.
Within the diverse class of halide perovskites, RbBiF4 stands out as a wide-gap insulator, contrasting sharply with the highly conductive and widely utilized photovoltaic candidates like CsPbBr3 and CsSnI3. While siblings such as RbPbF3 share similar structural motifs, RbBiF4 occupies a distinct position due to its unique bismuth-based chemistry and metastable nature.
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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