Rb2Mo3O10
Rb2Mo3O10 is a thermodynamically stable, wide-gap insulating rubidium molybdate compound.
About Rb2Mo3O10
Rb2Mo3O10 is a stable rubidium-based molybdate that exists as a wide-gap insulator. Its presence on the thermodynamic convex hull highlights its structural robustness and chemical reliability within its class of complex oxides.
This compound is characterized by its distinct structural arrangements, which have been documented across multiple crystallographic databases. Its electronic properties make it a subject of interest for researchers investigating insulating materials with specific stoichiometry.
Key Properties
Cross-validated computational properties for Rb2Mo3O10, 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 Rb2Mo3O10. 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 Rb2Mo3O10, 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. |
|---|---|---|---|---|---|
| — | — | 3.52 | 0.0000 | -2.289 | — |
| C2/c (No. 15) | monoclinic | 3.39 | 0.0000 | -7.708 | 3.91 |
| C2/c (No. 15) | monoclinic | 3.35 | 0.0000 | -2.237 | — |
| C2/c (No. 15) | monoclinic | — | — | — | 3.63 |
| C2/c (No. 15) | monoclinic | — | — | — | 3.72 |
| C2/c (No. 15) | monoclinic | — | — | — | 4.05 |
Frequently Asked Questions
Common questions about Rb2Mo3O10, answered from cross-validated data.
What is Rb2Mo3O10?
Rb2Mo3O10 is a thermodynamically stable, wide-gap insulating rubidium molybdate compound.
What is the band gap of Rb2Mo3O10?
Is Rb2Mo3O10 a metal, semiconductor, or insulator?
Is Rb2Mo3O10 thermodynamically stable?
What is the crystal structure of Rb2Mo3O10?
What is the density of Rb2Mo3O10?
How many polymorphs of Rb2Mo3O10 are known?
What elements does Rb2Mo3O10 contain?
Where does the data for Rb2Mo3O10 come from?
How It Compares
As a thermodynamically stable member of the molybdate family, Rb2Mo3O10 represents a reliable baseline for studying rubidium-based complex oxides. While it does not share its specific structural motif with other common molybdates, it serves as a key reference point for understanding the stability trends within this group of inorganic compounds.
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.
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