Mn3Cd2O8
Mn3Cd2O8 is a stable, semiconducting oxide compound primarily investigated for its potential as a catalyst in oxygen-evolution reactions.
About Mn3Cd2O8
Mn3Cd2O8 is a semiconducting oxide that sits on the convex hull, indicating significant thermodynamic stability. As a member of the oxygen-evolution catalyst family, it is designed to facilitate the complex multi-electron transfer processes required for water splitting and related electrochemical energy conversion technologies.
Its structural versatility is highlighted by multiple reported configurations across major materials databases. This adaptability makes it a compelling candidate for researchers aiming to optimize catalytic surfaces for improved performance in sustainable energy systems.
Key Properties
Cross-validated computational properties for Mn3Cd2O8, 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 Mn3Cd2O8. 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 Mn3Cd2O8, 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. |
|---|---|---|---|---|---|
| C2/m (No. 12) | monoclinic | 1.76 | 0.0000 | -7.052 | 5.86 |
| — | — | 1.27 | 0.0000 | -1.673 | — |
| C2/m (No. 12) | monoclinic | 0.72 | 0.0000 | -1.681 | — |
| C2/m (No. 12) | monoclinic | — | — | — | 5.89 |
| C2/m (No. 12) | monoclinic | — | — | — | 5.57 |
| C2/m (No. 12) | monoclinic | — | — | — | 5.83 |
| C2/m (No. 12) | monoclinic | — | — | — | 6.15 |
Applications
Where Mn3Cd2O8 is used.
Frequently Asked Questions
Common questions about Mn3Cd2O8, answered from cross-validated data.
What is Mn3Cd2O8?
Mn3Cd2O8 is a stable, semiconducting oxide compound primarily investigated for its potential as a catalyst in oxygen-evolution reactions.
What is Mn3Cd2O8 used for?
What is the band gap of Mn3Cd2O8?
Is Mn3Cd2O8 a metal, semiconductor, or insulator?
Is Mn3Cd2O8 thermodynamically stable?
What is the crystal structure of Mn3Cd2O8?
What is the density of Mn3Cd2O8?
How many polymorphs of Mn3Cd2O8 are known?
What elements does Mn3Cd2O8 contain?
Where does the data for Mn3Cd2O8 come from?
How It Compares
Within the oxide oxygen-evolution catalysts class.
Unlike the more widely studied spinel and layered oxides such as LiMn2O4 or LiCoO2, Mn3Cd2O8 offers a distinct structural motif that diversifies the landscape of transition metal-based catalysts. While materials like LaMnO3 are frequently utilized for their perovskite-based activity, Mn3Cd2O8 provides a unique electronic environment that may offer alternative pathways for oxygen-evolution kinetics.
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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