MnSnO3
MnSnO3 is a stable, semiconducting oxide material investigated for its potential utility as a catalyst in oxygen-evolution reactions.
About MnSnO3
MnSnO3 is a semiconducting oxide that sits on the thermodynamic convex hull, indicating high stability and structural reliability. As a member of the oxide oxygen-evolution catalyst family, it is a subject of interest for researchers seeking to optimize electrochemical water splitting processes through material design. Its structural versatility is highlighted by a significant number of reported configurations across major databases, making it a robust candidate for further experimental investigation into catalytic performance. The material plays a critical role in the ongoing search for efficient, earth-abundant alternatives to precious metal catalysts in renewable energy conversion systems.
Key Properties
Cross-validated computational properties for MnSnO3, 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 MnSnO3. 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 MnSnO3, 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. |
|---|---|---|---|---|---|
| R-3 (No. 148) | trigonal | 0.92 | 0.0000 | -7.687 | 6.11 |
| — | — | 1.08 | 0.0019 | -2.024 | — |
| R3c (No. 161) | trigonal | 0.23 | 0.0223 | -7.665 | 5.98 |
| — | — | 0.85 | 0.0423 | -1.984 | — |
| — | — | 0.98 | 0.0696 | -1.957 | — |
| R-3 (No. 148) | trigonal | 0.00 | 0.0888 | -1.622 | — |
| R3c (No. 161) | trigonal | 0.00 | 0.0984 | -1.612 | — |
| P-1 (No. 2) | triclinic | 0.18 | 0.1541 | -7.533 | 4.14 |
| — | — | 0.85 | 0.3256 | -1.701 | — |
| — | — | 0.00 | 0.4495 | -1.577 | — |
| — | — | 0.72 | 0.4850 | -1.541 | — |
| — | — | 0.00 | 0.5317 | -1.495 | — |
Synthesis Routes
Literature-extracted synthesis procedures targeting MnSnO3.
Applications
Where MnSnO3 is used.
Frequently Asked Questions
Common questions about MnSnO3, answered from cross-validated data.
What is MnSnO3?
MnSnO3 is a stable, semiconducting oxide material investigated for its potential utility as a catalyst in oxygen-evolution reactions.
What is MnSnO3 used for?
What is the band gap of MnSnO3?
Is MnSnO3 a metal, semiconductor, or insulator?
Is MnSnO3 thermodynamically stable?
What is the crystal structure of MnSnO3?
What is the density of MnSnO3?
How many polymorphs of MnSnO3 are known?
How is MnSnO3 synthesized?
What elements does MnSnO3 contain?
Where does the data for MnSnO3 come from?
How It Compares
Within the oxide oxygen-evolution catalysts class.
Within the diverse class of oxygen-evolution catalysts, MnSnO3 offers a distinct electronic profile compared to more traditional transition metal oxides like NiO or the layered perovskite structures such as LaMnO3. While many of its peers, including LiCoO2 and LiNiO2, are primarily utilized for their intercalation properties in battery technology, MnSnO3 is increasingly evaluated for its potential in catalytic surface reactions, positioning it as a specialized alternative to the highly studied lanthanum-based perovskites.
Related Compounds
Other Oxide Oxygen-Evolution Catalysts 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)
- 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.
- cod — Data from the Crystallography Open Database (crystallography.net/cod/). Cite: Grazulis et al., J. Appl. Cryst. 42, 726 (2009). (CC0-1.0)
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