Ca5Mn4O9
Ca5Mn4O9 is a metastable semiconducting oxide used primarily in research to study oxygen-evolution catalysis mechanisms.
About Ca5Mn4O9
Ca5Mn4O9 is a complex calcium manganese oxide that functions as a semiconducting material. Within the field of oxygen-evolution catalysts, it represents a specialized composition that researchers study to understand how transition metal oxidation states influence catalytic performance. Its metastable nature makes it a subject of significant interest for synthesis and stability studies in energy-related applications. Because of its distinct structural arrangement, it provides a unique platform for exploring charge transfer processes during electrochemical reactions. This compound is primarily utilized in academic and laboratory settings to probe the fundamental mechanisms of water splitting and related catalytic pathways.
Key Properties
Cross-validated computational properties for Ca5Mn4O9, 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 Ca5Mn4O9, 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. |
|---|---|---|---|---|---|
| Cm (No. 8) | monoclinic | 2.34 | 0.0501 | -7.757 | 4.04 |
| Cm (No. 8) | Monoclinic | — | — | — | 4.04 |
| Cm (No. 8) | Monoclinic | — | — | — | 4.18 |
| Cm (No. 8) | Monoclinic | — | — | — | 4.24 |
| Cm (No. 8) | — | — | — | — | — |
Applications
Where Ca5Mn4O9 is used.
Frequently Asked Questions
Common questions about Ca5Mn4O9, answered from cross-validated data.
What is Ca5Mn4O9?
Ca5Mn4O9 is a metastable semiconducting oxide used primarily in research to study oxygen-evolution catalysis mechanisms.
What is Ca5Mn4O9 used for?
What is the band gap of Ca5Mn4O9?
Is Ca5Mn4O9 a metal, semiconductor, or insulator?
Is Ca5Mn4O9 thermodynamically stable?
What is the crystal structure of Ca5Mn4O9?
What is the density of Ca5Mn4O9?
How many polymorphs of Ca5Mn4O9 are known?
What elements does Ca5Mn4O9 contain?
Where does the data for Ca5Mn4O9 come from?
How It Compares
Within the oxide oxygen-evolution catalysts class.
Compared to more common battery-related oxides like LiMn2O4 or LaMnO3, Ca5Mn4O9 occupies a more niche position within the oxide catalyst family due to its metastable phase. While materials like LiCoO2 and NiO are established benchmarks for electrochemical stability and conductivity, Ca5Mn4O9 offers a different structural complexity that allows researchers to investigate non-traditional catalytic sites that are not accessible in simpler perovskite or spinel structures.
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).
- mpaloe — Data from mpaloe.
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
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