MnSeO3
manganese(II) selenite
MnSeO3 is a stable, insulating manganese selenite oxide used as a research material in the development of oxygen-evolution catalysts.
About manganese(II) selenite
Manganese(II) selenite is a thermodynamically stable inorganic compound characterized by its insulating, wide-band-gap electronic structure. As a member of the oxide family, it represents a distinct chemical environment for transition metal coordination within an oxygen-rich framework.
This material is of significant interest in the study of oxygen-evolution catalysts, where its structural stability and electronic properties are evaluated for potential electrochemical performance. Its presence in multiple structural databases highlights its importance as a well-defined model system for inorganic materials scientists.
Key Properties
Cross-validated computational properties for manganese(II) selenite, 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 MnSeO3. 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 MnSeO3, 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. |
|---|---|---|---|---|---|
| P21/c (No. 14) | monoclinic | 2.34 | 0.0000 | -7.151 | 4.23 |
| P21/c (No. 14) | monoclinic | 2.65 | 0.0079 | -7.143 | 4.09 |
| Pnma (No. 62) | orthorhombic | 2.84 | 0.0203 | -7.131 | 4.68 |
| — | — | 3.07 | 0.1482 | -1.549 | — |
| Pnma (No. 62) | orthorhombic | 1.09 | 0.1987 | -1.129 | — |
| — | — | 1.92 | 0.2742 | -1.423 | — |
| — | — | 0.00 | 0.8211 | -0.876 | — |
| P21/c (No. 14) | monoclinic | — | — | — | 4.09 |
| P21/c (No. 14) | monoclinic | — | — | — | 4.21 |
| Pnma (No. 62) | orthorhombic | — | — | — | 4.90 |
| Pnma (No. 62) | orthorhombic | — | — | — | 5.02 |
| Pnma (No. 62) | orthorhombic | — | — | — | 4.80 |
Applications
Where manganese(II) selenite is used.
Frequently Asked Questions
Common questions about manganese(II) selenite, answered from cross-validated data.
What is MnSeO3?
MnSeO3 is a stable, insulating manganese selenite oxide used as a research material in the development of oxygen-evolution catalysts.
What is MnSeO3 used for?
What is the band gap of MnSeO3?
Is MnSeO3 a metal, semiconductor, or insulator?
Is MnSeO3 thermodynamically stable?
What is the crystal structure of MnSeO3?
What is the density of MnSeO3?
How many polymorphs of MnSeO3 are known?
What elements does MnSeO3 contain?
Where does the data for MnSeO3 come from?
How It Compares
Within the oxide oxygen-evolution catalysts class.
Unlike the highly conductive metallic oxides such as LaNiO3 or the widely utilized battery cathode materials like LiCoO2 and LiMn2O4, MnSeO3 functions as a wide-gap insulator, placing it in a unique niche within the broader class of oxygen-evolution catalysts.
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)
- cod — Data from the Crystallography Open Database (crystallography.net/cod/). Cite: Grazulis et al., J. Appl. Cryst. 42, 726 (2009). (CC0-1.0)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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