Ca5MnO6
Ca5MnO6 is a semiconducting calcium manganese oxide that is being investigated as a potential catalyst for oxygen-evolution reactions in electrochemical systems.
About Ca5MnO6
Ca5MnO6 is a semiconducting oxide that belongs to the broader family of oxygen-evolution catalysts. Its structural configuration and electronic properties make it a subject of interest for researchers looking to optimize catalytic performance in electrochemical water splitting applications. Being classified as a near-hull material, it is considered a promising candidate for successful laboratory synthesis and subsequent experimental characterization.
This compound plays a critical role in the ongoing development of efficient catalysts that facilitate the oxygen-evolution reaction. By leveraging its semiconducting nature, scientists aim to improve the kinetics of energy-intensive processes, contributing to the advancement of renewable energy technologies and the design of more stable, high-performance electrode materials.
Key Properties
Cross-validated computational properties for Ca5MnO6, 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.
Reported Structures
Lowest-energy structures reported for Ca5MnO6, 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 | 2.97 | 0.0229 | -7.144 | 3.57 |
| C2/m (No. 12) | — | — | — | — | — |
| — | — | — | — | — | 2.36 |
Applications
Where Ca5MnO6 is used.
Frequently Asked Questions
Common questions about Ca5MnO6, answered from cross-validated data.
What is Ca5MnO6?
Ca5MnO6 is a semiconducting calcium manganese oxide that is being investigated as a potential catalyst for oxygen-evolution reactions in electrochemical systems.
What is Ca5MnO6 used for?
What is the band gap of Ca5MnO6?
Is Ca5MnO6 a metal, semiconductor, or insulator?
Is Ca5MnO6 thermodynamically stable?
What is the crystal structure of Ca5MnO6?
What is the density of Ca5MnO6?
How many polymorphs of Ca5MnO6 are known?
What elements does Ca5MnO6 contain?
Where does the data for Ca5MnO6 come from?
How It Compares
Within the oxide oxygen-evolution catalysts class.
Within the diverse class of oxygen-evolution catalysts, Ca5MnO6 occupies a distinct niche compared to well-established transition metal oxides like LiMn2O4 or LaMnO3. While many of its siblings are widely utilized in commercial battery or catalytic systems, Ca5MnO6 represents a more specialized, emerging structural motif that offers different pathways for electronic tuning compared to the more traditional perovskite or spinel architectures found in materials like LaNiO3 or NiO.
Related Compounds
Other Oxide Oxygen-Evolution Catalysts in the database.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
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