Rb2Ti6O13
Rb2Ti6O13 is a stable, semiconducting rubidium titanium oxide used in materials research for its unique structural properties.
About Rb2Ti6O13
Rb2Ti6O13 is a complex oxide composed of rubidium, titanium, and oxygen. As a thermodynamically stable phase located on the convex hull, it exhibits robust structural integrity that makes it a significant subject for solid-state research.
This material functions as a semiconductor, positioning it as a candidate for specialized electronic and photocatalytic applications. Its structural versatility is evidenced by multiple reported configurations, highlighting its importance in the broader family of alkali metal titanates.
Key Properties
Cross-validated computational properties for Rb2Ti6O13, 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 Rb2Ti6O13. 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 Rb2Ti6O13, 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. |
|---|---|---|---|---|---|
| — | — | 2.74 | 0.0000 | -3.102 | — |
| C2/m (No. 12) | monoclinic | 2.70 | 0.0000 | -3.128 | — |
| C2/m (No. 12) | monoclinic | 2.62 | 0.0000 | -8.744 | 4.03 |
| C2/m (No. 12) | monoclinic | — | — | — | 3.93 |
| C2/m (No. 12) | monoclinic | — | — | — | 4.12 |
| C2/m (No. 12) | monoclinic | — | — | — | 4.01 |
Applications
Where Rb2Ti6O13 is used.
Frequently Asked Questions
Common questions about Rb2Ti6O13, answered from cross-validated data.
What is Rb2Ti6O13?
Rb2Ti6O13 is a stable, semiconducting rubidium titanium oxide used in materials research for its unique structural properties.
What is Rb2Ti6O13 used for?
What is the band gap of Rb2Ti6O13?
Is Rb2Ti6O13 a metal, semiconductor, or insulator?
Is Rb2Ti6O13 thermodynamically stable?
What is the crystal structure of Rb2Ti6O13?
How many polymorphs of Rb2Ti6O13 are known?
What elements does Rb2Ti6O13 contain?
Where does the data for Rb2Ti6O13 come from?
How It Compares
As a stable alkali metal titanate, Rb2Ti6O13 serves as a key reference point for understanding the structural and electronic behavior of complex titanium-based oxides. It represents a well-defined stoichiometric point in the phase space of rubidium-titanium-oxygen systems.
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.
Analyze Rb2Ti6O13 in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 85 source databases.
Explore the Platform →