Rb4SnO3
Rb4SnO3 is a thermodynamically stable, semiconducting oxide material used in advanced materials research.
About Rb4SnO3
Rb4SnO3 is a thermodynamically stable inorganic compound within the transparent conducting oxide class. It exhibits semiconducting electronic behavior, making it a subject of interest for fundamental studies in electronic materials and oxide chemistry. Its position on the convex hull underscores its structural integrity under standard conditions.
With multiple reported structures across major databases, this compound serves as a valuable case study for researchers investigating the relationship between stoichiometry and electronic properties in complex oxides. Its unique composition of rubidium, tin, and oxygen distinguishes it from more common transition metal-based oxides.
Key Properties
Cross-validated computational properties for Rb4SnO3, 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 Rb4SnO3. 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 Rb4SnO3, 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. |
|---|---|---|---|---|---|
| Cc (No. 9) | monoclinic | 2.08 | 0.0000 | -13.719 | 4.11 |
| Cc (No. 9) | monoclinic | 2.01 | 0.0000 | -1.469 | — |
| — | — | 1.97 | 0.0000 | -1.443 | — |
| Cc (No. 9) | monoclinic | 1.47 | 0.0000 | -4.369 | 3.86 |
| Pbca (No. 61) | orthorhombic | 2.03 | 0.0013 | -4.367 | 4.11 |
| Cc (No. 9) | monoclinic | — | — | — | 3.99 |
| Cc (No. 9) | monoclinic | — | — | — | 3.86 |
| Cc (No. 9) | monoclinic | — | — | — | 4.03 |
Applications
Where Rb4SnO3 is used.
Frequently Asked Questions
Common questions about Rb4SnO3, answered from cross-validated data.
What is Rb4SnO3?
Rb4SnO3 is a thermodynamically stable, semiconducting oxide material used in advanced materials research.
What is Rb4SnO3 used for?
What is the band gap of Rb4SnO3?
Is Rb4SnO3 a metal, semiconductor, or insulator?
Is Rb4SnO3 thermodynamically stable?
What is the crystal structure of Rb4SnO3?
What is the density of Rb4SnO3?
How many polymorphs of Rb4SnO3 are known?
What elements does Rb4SnO3 contain?
Where does the data for Rb4SnO3 come from?
How It Compares
Within the transparent conducting oxides class.
Unlike the widely utilized ZnO or the perovskite-structured BaSnO3, which are frequently employed in optoelectronic devices due to their well-documented conductivity, Rb4SnO3 represents a more specialized member of the transparent conducting oxide family. While its siblings like ZnGa2O4 or Zn2SiO4 are often studied for their specific wide-gap characteristics, Rb4SnO3 offers a distinct chemical environment that contributes to the broader understanding of semiconducting oxide stability.
Related Compounds
Other Transparent Conducting Oxides in the database.
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)
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
- 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)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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