RbNbO3
RbNbO3 is a stable, wide-band-gap insulating oxide compound that exhibits diverse structural phases.
About RbNbO3
RbNbO3 is a thermodynamically stable inorganic compound characterized by its insulating electronic nature. As a member of the niobate family, it exhibits significant structural diversity, with numerous reported phases reflecting its complex coordination chemistry.
Its stability on the convex hull makes it a robust candidate for fundamental research into oxide materials. The wide-band-gap nature of this compound suggests potential utility in applications requiring stable dielectric or insulating properties in high-performance electronic environments.
Key Properties
Cross-validated computational properties for RbNbO3, 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 RbNbO3. 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 RbNbO3, 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. |
|---|---|---|---|---|---|
| — | — | 3.55 | 0.0000 | -2.674 | — |
| P-1 (No. 2) | triclinic | 3.31 | 0.0000 | -8.024 | 4.24 |
| Pm-3m (No. 221) | cubic | 1.46 | 0.0000 | -2.606 | — |
| C2/m (No. 12) | monoclinic | 2.88 | 0.0060 | -2.600 | — |
| — | — | 3.12 | 0.0205 | -2.653 | — |
| C2/m (No. 12) | monoclinic | 2.82 | 0.0243 | -8.000 | 4.28 |
| — | — | 3.56 | 0.0285 | -2.645 | — |
| — | — | 2.29 | 0.0569 | -2.617 | — |
| — | — | 1.59 | 0.0618 | -2.612 | — |
| — | — | 1.59 | 0.0738 | -2.600 | — |
| — | — | 1.56 | 0.0739 | -2.600 | — |
| — | — | 1.60 | 0.0741 | -2.600 | — |
Applications
Where RbNbO3 is used.
Frequently Asked Questions
Common questions about RbNbO3, answered from cross-validated data.
What is RbNbO3?
RbNbO3 is a stable, wide-band-gap insulating oxide compound that exhibits diverse structural phases.
What is RbNbO3 used for?
What is the band gap of RbNbO3?
Is RbNbO3 a metal, semiconductor, or insulator?
Is RbNbO3 thermodynamically stable?
What is the crystal structure of RbNbO3?
What is the density of RbNbO3?
How many polymorphs of RbNbO3 are known?
What elements does RbNbO3 contain?
Where does the data for RbNbO3 come from?
How It Compares
As a stable niobate, RbNbO3 serves as a key reference point for understanding the structural evolution and phase behavior of alkali metal niobates. Its thermodynamic stability distinguishes it as a reliable material for exploring the interplay between ionic size and lattice geometry within this chemical class.
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)
- cod — Data from the Crystallography Open Database (crystallography.net/cod/). Cite: Grazulis et al., J. Appl. Cryst. 42, 726 (2009). (CC0-1.0)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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