Rb3BiO3
Rb3BiO3 is a thermodynamically stable, insulating oxide compound composed of rubidium, bismuth, and oxygen.
About Rb3BiO3
Rb3BiO3 is a complex oxide featuring rubidium, bismuth, and oxygen. As a thermodynamically stable phase located on the convex hull, it represents a robust crystalline arrangement that persists under standard conditions.
This material exhibits the electronic characteristics of a wide-band-gap insulator. Its stable configuration and distinct electronic profile make it a subject of interest for researchers investigating the fundamental properties of alkali metal bismuthates.
Key Properties
Cross-validated computational properties for Rb3BiO3, 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 Rb3BiO3. 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 Rb3BiO3, 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. |
|---|---|---|---|---|---|
| — | — | 3.33 | 0.0000 | -1.516 | — |
| P213 (No. 198) | cubic | 3.26 | 0.0000 | -1.515 | — |
| P213 (No. 198) | cubic | 3.10 | 0.0000 | -4.718 | 5.02 |
| — | — | 3.00 | 0.0078 | -1.508 | — |
| P213 (No. 198) | cubic | — | — | — | 4.93 |
| P213 (No. 198) | cubic | — | — | — | 4.72 |
| P213 (No. 198) | cubic | — | — | — | 4.84 |
Applications
Where Rb3BiO3 is used.
Frequently Asked Questions
Common questions about Rb3BiO3, answered from cross-validated data.
What is Rb3BiO3?
Rb3BiO3 is a thermodynamically stable, insulating oxide compound composed of rubidium, bismuth, and oxygen.
What is Rb3BiO3 used for?
What is the band gap of Rb3BiO3?
Is Rb3BiO3 a metal, semiconductor, or insulator?
Is Rb3BiO3 thermodynamically stable?
What is the crystal structure of Rb3BiO3?
How many polymorphs of Rb3BiO3 are known?
What elements does Rb3BiO3 contain?
Where does the data for Rb3BiO3 come from?
How It Compares
As a unique member of the alkali metal bismuthate family, Rb3BiO3 serves as a foundational example of stable, insulating oxide chemistry. Without direct structural siblings in this specific dataset, it stands as a primary reference point for understanding the interplay between heavy p-block elements and alkali metals in stable insulating lattices.
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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