Co2Mn2O6
This compound is a mixed-metal oxide containing cobalt and manganese. It is primarily studied for its potential roles in electrochemical energy storage and catalytic processes.
Overview
Key Properties
Cross-validated computational properties for Co2Mn2O6, 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.
1.07 eV
Range across DFT structures
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.
0.000 eV/atom
Best (lowest) across sources
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.
On hull (stable)
2 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
16
3 databases, 6 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for Co2Mn2O6, 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. |
|---|---|---|---|---|---|
| R-3 (No. 148) | trigonal | 0.00 | 0.0000 | -7.878 | 5.59 |
| Cmce (No. 64) | orthorhombic | 0.00 | 0.0281 | -7.196 | 4.73 |
| C2/m (No. 12) | monoclinic | 1.07 | 0.0286 | -7.196 | 4.77 |
| C2/m (No. 12) | monoclinic | 0.00 | 0.0899 | -7.788 | 5.10 |
| I4/mcm (No. 140) | — | — | — | — | — |
| R-3 (No. 148) | — | — | — | — | — |
| R-3 (No. 148) | — | — | — | — | — |
| R3c (No. 161) | — | — | — | — | — |
| R-3 (No. 148) | — | — | — | — | — |
| — | — | — | — | — | 4.38 |
| R3c (No. 161) | — | — | — | — | — |
| R3c (No. 161) | — | — | — | — | — |
Uses
Applications
Where Co2Mn2O6 is used.
Battery electrode researchCatalysisMagnetic material studies
Reference
Frequently Asked Questions
Common questions about Co2Mn2O6, answered from cross-validated data.
What is Co2Mn2O6?
This compound is a mixed-metal oxide containing cobalt and manganese. It is primarily studied for its potential roles in electrochemical energy storage and catalytic processes.
More questions
What is Co2Mn2O6 used for?
Co2Mn2O6 is used in battery electrode research, catalysis, and magnetic material studies.
What is the band gap of Co2Mn2O6?
Co2Mn2O6 has a DFT-computed band gap of 1.07 eV across 16 reported structures.
Is Co2Mn2O6 a metal, semiconductor, or insulator?
With a band gap up to 1.07 eV it is a semiconductor.
Is Co2Mn2O6 thermodynamically stable?
Yes — Co2Mn2O6 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of Co2Mn2O6?
The lowest-energy reported polymorph of Co2Mn2O6 is trigonal symmetry, space group R-3 (No. 148).
What is the density of Co2Mn2O6?
The computed density of the ground-state structure of Co2Mn2O6 is 5.59 g/cm³.
How many polymorphs of Co2Mn2O6 are known?
16 structures of Co2Mn2O6 are reported across 3 databases, spanning 6 distinct space groups.
What elements does Co2Mn2O6 contain?
Co2Mn2O6 contains Co, Mn, and O (3 elements).
Where does the data for Co2Mn2O6 come from?
Co2Mn2O6 data is cross-referenced from materials_project, aflow, omat24.
Explore
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).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
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