MnSbO4
MnSbO4 is a semiconducting oxide material primarily researched for its potential as a catalyst in oxygen-evolution reactions.
About MnSbO4
MnSbO4 is a semiconducting oxide that functions within the broader class of oxygen-evolution catalysts. Its electronic structure and metastable nature make it a subject of significant interest for researchers aiming to optimize catalytic efficiency in electrochemical water splitting. The material is characterized by its specific arrangement of manganese, antimony, and oxygen atoms, which dictates its catalytic behavior.
As a metastable compound, MnSbO4 offers unique pathways for structural tuning that are not always accessible in more thermodynamically stable oxides. Its role in the field of oxygen-evolution catalysis is defined by its ability to facilitate complex surface reactions, positioning it as a specialized candidate for advanced energy storage and conversion technologies.
Key Properties
Cross-validated computational properties for MnSbO4, 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 MnSbO4. 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 MnSbO4, 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. |
|---|---|---|---|---|---|
| — | — | 0.80 | 0.0000 | -1.848 | — |
| — | — | 0.00 | 0.0164 | -1.831 | — |
| Cmmm (No. 65) | orthorhombic | 0.00 | 0.0341 | -1.619 | — |
| C2221 (No. 20) | orthorhombic | 1.12 | 0.0366 | -7.417 | 5.11 |
| P1 (No. 1) | triclinic | 0.60 | 0.0477 | -7.406 | 5.11 |
| Cm (No. 8) | monoclinic | 0.00 | 0.0545 | -7.399 | 5.14 |
| I-4m2 (No. 119) | tetragonal | 0.00 | 0.0678 | -7.386 | 5.08 |
| P2/m (No. 10) | monoclinic | 1.26 | 0.0801 | -7.374 | 4.82 |
| C2221 (No. 20) | orthorhombic | 0.00 | 0.1019 | -1.551 | — |
| I-4m2 (No. 119) | tetragonal | 0.00 | 0.1068 | -1.546 | — |
| I-4m2 (No. 119) | tetragonal | 0.00 | 0.1156 | -1.537 | — |
| I-4m2 (No. 119) | tetragonal | 0.00 | 0.1157 | -1.537 | — |
Applications
Where MnSbO4 is used.
Frequently Asked Questions
Common questions about MnSbO4, answered from cross-validated data.
What is MnSbO4?
MnSbO4 is a semiconducting oxide material primarily researched for its potential as a catalyst in oxygen-evolution reactions.
What is MnSbO4 used for?
What is the band gap of MnSbO4?
Is MnSbO4 a metal, semiconductor, or insulator?
Is MnSbO4 thermodynamically stable?
What is the crystal structure of MnSbO4?
What is the density of MnSbO4?
How many polymorphs of MnSbO4 are known?
What elements does MnSbO4 contain?
Where does the data for MnSbO4 come from?
How It Compares
Within the oxide oxygen-evolution catalysts class.
Within the diverse family of oxygen-evolution catalysts, MnSbO4 occupies a distinct niche compared to more conventional materials like LiMn2O4 or LaMnO3. While many of its siblings are well-established, highly stable perovskite or spinel structures, MnSbO4 represents a metastable alternative that provides a different electronic landscape for surface-active processes, offering researchers a broader design space for developing next-generation catalytic surfaces.
Related Compounds
Other Oxide Oxygen-Evolution Catalysts in the database.
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.
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