Rb3V5O14
Rb3V5O14 is a thermodynamically stable semiconducting oxide containing rubidium and vanadium.
About Rb3V5O14
Rb3V5O14 is a complex oxide composed of rubidium, vanadium, and oxygen. As a thermodynamically stable phase located on the convex hull, it represents a robust crystalline arrangement that is well-suited for systematic investigation in solid-state chemistry.
This compound exhibits semiconducting electronic behavior, making it an intriguing candidate for research into electronic and optical materials. Its structural diversity, evidenced by multiple reported configurations, highlights its significance as a subject for understanding vanadium-based oxide frameworks.
Key Properties
Cross-validated computational properties for Rb3V5O14, 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 Rb3V5O14. 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 Rb3V5O14, 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. |
|---|---|---|---|---|---|
| — | — | 2.39 | 0.0000 | -2.372 | — |
| P31m (No. 157) | trigonal | 2.24 | 0.0000 | -7.757 | 3.51 |
| P31m (No. 157) | trigonal | 2.05 | 0.0000 | -2.517 | — |
| — | — | 2.39 | 0.0001 | -2.372 | — |
| P31m (No. 157) | trigonal | — | — | — | 3.55 |
| P31m (No. 157) | trigonal | — | — | — | 3.28 |
| P31m (No. 157) | trigonal | — | — | — | 3.36 |
| P31m (No. 157) | trigonal | — | — | — | 3.52 |
| P31m (No. 157) | trigonal | — | — | — | 3.52 |
Applications
Where Rb3V5O14 is used.
Frequently Asked Questions
Common questions about Rb3V5O14, answered from cross-validated data.
What is Rb3V5O14?
Rb3V5O14 is a thermodynamically stable semiconducting oxide containing rubidium and vanadium.
What is Rb3V5O14 used for?
What is the band gap of Rb3V5O14?
Is Rb3V5O14 a metal, semiconductor, or insulator?
Is Rb3V5O14 thermodynamically stable?
What is the crystal structure of Rb3V5O14?
What is the density of Rb3V5O14?
How many polymorphs of Rb3V5O14 are known?
What elements does Rb3V5O14 contain?
Where does the data for Rb3V5O14 come from?
How It Compares
As a distinct vanadium-based oxide, Rb3V5O14 serves as a foundational example of stable ternary systems within its chemical family. It provides a benchmark for structural complexity and electronic properties in rubidium-vanadate materials, offering a baseline for future comparative studies of similar alkali-metal transition metal oxides.
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)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
- cod — Data from the Crystallography Open Database (crystallography.net/cod/). Cite: Grazulis et al., J. Appl. Cryst. 42, 726 (2009). (CC0-1.0)
Analyze Rb3V5O14 in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 85 source databases.
Explore the Platform →