Mn2Sb2O7
Mn2Sb2O7 is a semiconducting manganese antimony oxide that serves as a metastable candidate material for oxygen-evolution catalysis.
About Mn2Sb2O7
Mn2Sb2O7 is a semiconducting oxide that functions within the specialized class of oxygen-evolution catalysts. Its unique structural arrangement and electronic properties make it a subject of interest for researchers seeking to optimize the efficiency of electrochemical water splitting processes.
As a metastable phase, this compound offers distinct pathways for catalytic activity compared to more conventional, highly stable oxides. Its role in the field is defined by the ongoing exploration of how transition metal-antimony oxide frameworks can facilitate the complex multi-electron transfer required for oxygen evolution.
Key Properties
Cross-validated computational properties for Mn2Sb2O7, 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 Mn2Sb2O7. 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 Mn2Sb2O7, 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. |
|---|---|---|---|---|---|
| P3121 (No. 152) | trigonal | 0.30 | 0.0255 | -7.529 | 5.67 |
| — | — | 0.23 | 0.0272 | -1.857 | — |
| Fd-3m (No. 227) | cubic | 0.00 | 0.0374 | -7.517 | 5.66 |
| Fd-3m (No. 227) | cubic | 0.00 | 0.1921 | -1.450 | — |
| — | — | 0.00 | 0.3209 | -1.563 | — |
| P3121 (No. 152) | trigonal | — | — | — | 5.95 |
| Fd-3m (No. 227) | cubic | — | — | — | 6.20 |
| P3121 (No. 152) | trigonal | — | — | — | 5.95 |
| Fd-3m (No. 227) | cubic | — | — | — | 5.91 |
| Fd-3m (No. 227) | cubic | — | — | — | 5.66 |
Synthesis Routes
Literature-extracted synthesis procedures targeting Mn2Sb2O7.
Applications
Where Mn2Sb2O7 is used.
Frequently Asked Questions
Common questions about Mn2Sb2O7, answered from cross-validated data.
What is Mn2Sb2O7?
Mn2Sb2O7 is a semiconducting manganese antimony oxide that serves as a metastable candidate material for oxygen-evolution catalysis.
What is Mn2Sb2O7 used for?
What is the band gap of Mn2Sb2O7?
Is Mn2Sb2O7 a metal, semiconductor, or insulator?
Is Mn2Sb2O7 thermodynamically stable?
What is the crystal structure of Mn2Sb2O7?
What is the density of Mn2Sb2O7?
How many polymorphs of Mn2Sb2O7 are known?
How is Mn2Sb2O7 synthesized?
What elements does Mn2Sb2O7 contain?
Where does the data for Mn2Sb2O7 come from?
How It Compares
Within the oxide oxygen-evolution catalysts class.
Within the broad landscape of oxygen-evolution catalysts, Mn2Sb2O7 occupies a niche position compared to well-established materials like LiMn2O4 or LaMnO3. While many of its class members are highly stable, widely utilized battery cathode materials or perovskite-based catalysts, Mn2Sb2O7 represents a more exploratory, metastable alternative that challenges traditional design paradigms for high-performance catalytic surfaces.
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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