CaMn4O8
CaMn4O8 is a semiconducting manganese oxide used primarily as a catalyst for oxygen-evolution reactions in electrochemical systems.
About CaMn4O8
CaMn4O8 is a semiconducting oxide that functions as a catalyst for the oxygen-evolution reaction. Its complex structure and electronic properties make it a subject of significant interest for researchers investigating sustainable energy conversion technologies.
As a metastable material, it represents a unique phase within the broader family of manganese-based oxides. The compound is primarily studied for its potential to facilitate efficient electrochemical water splitting, contributing to the development of advanced catalytic materials.
Key Properties
Cross-validated computational properties for CaMn4O8, aggregated across 4 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 CaMn4O8. 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 CaMn4O8, 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. |
|---|---|---|---|---|---|
| P-1 (No. 2) | triclinic | 0.51 | 0.0289 | -8.183 | 3.73 |
| R-3m (No. 166) | trigonal | 0.00 | 0.0365 | -2.062 | — |
| R-3m (No. 166) | trigonal | 0.00 | 0.0563 | -8.155 | 3.68 |
| P21/c (No. 14) | monoclinic | 0.32 | 0.0611 | -8.150 | 4.22 |
| Cmc21 (No. 36) | orthorhombic | 0.42 | 0.0770 | -8.135 | 4.08 |
| P1 (No. 1) | triclinic | 0.54 | 0.0825 | -8.129 | 3.92 |
| Cm (No. 8) | monoclinic | 0.00 | 0.1118 | -8.100 | 4.34 |
| Cmc21 (No. 36) | orthorhombic | — | — | — | — |
| Cm (No. 8) | monoclinic | — | — | — | 4.34 |
| Cmc21 (No. 36) | orthorhombic | — | — | — | 4.59 |
| Cmc21 (No. 36) | orthorhombic | — | — | — | 4.08 |
| P-1 (No. 2) | triclinic | — | — | — | 3.89 |
Synthesis Routes
Literature-extracted synthesis procedures targeting CaMn4O8.
Applications
Where CaMn4O8 is used.
Frequently Asked Questions
Common questions about CaMn4O8, answered from cross-validated data.
What is CaMn4O8?
CaMn4O8 is a semiconducting manganese oxide used primarily as a catalyst for oxygen-evolution reactions in electrochemical systems.
What is CaMn4O8 used for?
What is the band gap of CaMn4O8?
Is CaMn4O8 a metal, semiconductor, or insulator?
Is CaMn4O8 thermodynamically stable?
What is the crystal structure of CaMn4O8?
What is the density of CaMn4O8?
How many polymorphs of CaMn4O8 are known?
How is CaMn4O8 synthesized?
What elements does CaMn4O8 contain?
Where does the data for CaMn4O8 come from?
How It Compares
Within the oxide oxygen-evolution catalysts class.
Unlike the highly stable and widely utilized LiCoO2 or LiMn2O4, which are cornerstones of battery technology, CaMn4O8 exists in a metastable state that presents distinct challenges and opportunities for catalytic surface engineering. While materials like LaMnO3 are often explored for their robust perovskite frameworks, CaMn4O8 offers a different structural motif that researchers leverage to tune oxygen-evolution activity in specialized electrochemical environments.
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)
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
- nomad — Data from NOMAD (nomad-lab.eu). Cite: Draxl & Scheffler, J. Phys. Mater. 2, 036001 (2019). (CC-BY-4.0)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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