Rb3NbO8
Rb3NbO8 is a thermodynamically stable semiconducting oxide composed of rubidium, niobium, and oxygen.
About Rb3NbO8
Rb3NbO8 is a complex oxide featuring rubidium and niobium. As a thermodynamically stable phase residing on the convex hull, it represents a robust crystalline arrangement that is well-supported by existing structural data across multiple databases.
This material exhibits semiconducting electronic characteristics, making it an intriguing candidate for investigations into electronic and optical properties. Its composition suggests potential utility in specialized inorganic synthesis where stable, multi-component oxide frameworks are required.
Key Properties
Cross-validated computational properties for Rb3NbO8, 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 Rb3NbO8. 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 Rb3NbO8, 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. |
|---|---|---|---|---|---|
| I-42m (No. 121) | tetragonal | 2.62 | 0.0000 | -6.065 | 3.93 |
| — | — | 2.78 | 0.0406 | -1.631 | — |
| I-42m (No. 121) | tetragonal | 2.68 | 0.0576 | -1.530 | — |
| I-42m (No. 121) | tetragonal | — | — | — | 3.76 |
| I-42m (No. 121) | tetragonal | — | — | — | 3.70 |
| I-42m (No. 121) | tetragonal | — | — | — | 3.84 |
Frequently Asked Questions
Common questions about Rb3NbO8, answered from cross-validated data.
What is Rb3NbO8?
Rb3NbO8 is a thermodynamically stable semiconducting oxide composed of rubidium, niobium, and oxygen.
What is the band gap of Rb3NbO8?
Is Rb3NbO8 a metal, semiconductor, or insulator?
Is Rb3NbO8 thermodynamically stable?
What is the crystal structure of Rb3NbO8?
What is the density of Rb3NbO8?
How many polymorphs of Rb3NbO8 are known?
What elements does Rb3NbO8 contain?
Where does the data for Rb3NbO8 come from?
How It Compares
As a distinct member of the complex oxide family, Rb3NbO8 stands out due to its confirmed thermodynamic stability and well-documented structural diversity. Unlike many experimental phases that require extreme conditions to persist, this compound maintains a stable configuration, providing a reliable baseline for studying niobium-based oxide systems.
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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