MnSeO4
manganese selenate
MnSeO4 is a stable, semiconducting manganese selenate compound studied for its potential role in electrochemical oxygen-evolution processes.
About manganese selenate
MnSeO4 is a thermodynamically stable manganese selenate that functions as a semiconducting material within the broader category of oxide oxygen-evolution catalysts. Its structural versatility is evidenced by a wide array of reported configurations, making it a subject of interest for fundamental studies in electrochemical energy conversion.
As a member of the oxide catalyst family, this compound plays a role in exploring alternative pathways for efficient water splitting. Its electronic character and stability profile provide a unique platform for researchers investigating the influence of selenium-based anions on the performance of transition metal-based catalytic systems.
Key Properties
Cross-validated computational properties for manganese selenate, 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 MnSeO4. 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 MnSeO4, 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. |
|---|---|---|---|---|---|
| Pnma (No. 62) | orthorhombic | 1.21 | 0.0008 | -6.934 | 4.09 |
| Cmcm (No. 63) | orthorhombic | 1.29 | 0.0012 | -6.934 | 4.16 |
| P21/c (No. 14) | monoclinic | 0.00 | 0.2035 | -1.107 | — |
| Pnma (No. 62) | orthorhombic | 0.00 | 0.2212 | -1.089 | — |
| Ama2 (No. 40) | orthorhombic | 0.00 | 0.2438 | -6.691 | 3.49 |
| Pnma (No. 62) | orthorhombic | 0.82 | 0.2439 | -6.691 | 3.59 |
| — | — | 1.55 | 0.2510 | -1.402 | — |
| — | — | 1.48 | 0.2514 | -1.401 | — |
| P21/c (No. 14) | monoclinic | 0.55 | 0.2552 | -6.680 | 3.44 |
| Cmcm (No. 63) | orthorhombic | 0.02 | 0.3442 | -0.966 | — |
| Cmcm (No. 63) | orthorhombic | 0.23 | 0.3549 | -0.955 | — |
| Pnma (No. 62) | orthorhombic | 0.28 | 0.3564 | -0.954 | — |
Applications
Where manganese selenate is used.
Frequently Asked Questions
Common questions about manganese selenate, answered from cross-validated data.
What is MnSeO4?
MnSeO4 is a stable, semiconducting manganese selenate compound studied for its potential role in electrochemical oxygen-evolution processes.
What is MnSeO4 used for?
What is the band gap of MnSeO4?
Is MnSeO4 a metal, semiconductor, or insulator?
Is MnSeO4 thermodynamically stable?
What is the crystal structure of MnSeO4?
What is the density of MnSeO4?
How many polymorphs of MnSeO4 are known?
What elements does MnSeO4 contain?
Where does the data for MnSeO4 come from?
How It Compares
Within the oxide oxygen-evolution catalysts class.
Unlike the more widely deployed transition metal oxides such as LiMn2O4 or LaMnO3, which are frequently utilized in battery cathodes and perovskite-based catalysis, MnSeO4 represents a distinct chemical subclass incorporating selenate groups. While siblings like NiO and LiCoO2 are established benchmarks for oxygen-evolution reactions, MnSeO4 offers a different structural framework that challenges traditional oxide-only catalytic paradigms.
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)
- 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.
- 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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