Li6Mn3CoO10
Li6Mn3CoO10 is a metastable, semiconducting layered oxide containing lithium, manganese, cobalt, and oxygen, primarily studied for its potential in advanced battery material research.
About Li6Mn3CoO10
Li6Mn3CoO10 is a complex layered lithium transition-metal oxide that features a semiconducting electronic character. As a metastable phase, it represents a unique structural arrangement within the broader family of lithium-based cathode materials, offering researchers insight into the intricate interplay between manganese and cobalt cations within an oxygen framework. Its structural complexity is underscored by a significant number of reported configurations across various databases, highlighting its interest in materials discovery. This compound serves as a critical subject for fundamental studies aimed at understanding ion transport and structural evolution in multi-metal oxide systems. By investigating its metastable nature, scientists can better predict the stability limits of layered oxides, which is essential for developing high-performance battery electrodes that must maintain integrity during repeated charge and discharge cycles.
Key Properties
Cross-validated computational properties for Li6Mn3CoO10, aggregated across 2 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 Li6Mn3CoO10. 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 Li6Mn3CoO10, 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. |
|---|---|---|---|---|---|
| P1 (No. 1) | triclinic | 0.00 | 0.0068 | -2.065 | — |
| C2 (No. 5) | monoclinic | 0.01 | 0.0082 | -2.064 | — |
| P1 (No. 1) | triclinic | 0.00 | 0.0085 | -2.064 | — |
| P1 (No. 1) | triclinic | 0.00 | 0.0128 | -2.059 | — |
| Cm (No. 8) | monoclinic | 0.00 | 0.0290 | -2.043 | — |
| Cm (No. 8) | monoclinic | 0.00 | 0.0299 | -2.042 | — |
| P1 (No. 1) | triclinic | 0.83 | 0.0300 | -6.837 | 4.01 |
| P1 (No. 1) | triclinic | 1.02 | 0.0377 | -6.829 | 3.96 |
| P1 (No. 1) | triclinic | 0.97 | 0.0420 | -6.825 | 3.94 |
| C2 (No. 5) | monoclinic | 0.99 | 0.0446 | -6.822 | 3.95 |
| P1 (No. 1) | triclinic | 0.57 | 0.0449 | -6.822 | 3.97 |
| P1 (No. 1) | triclinic | 0.96 | 0.0452 | -6.822 | 3.98 |
Applications
Where Li6Mn3CoO10 is used.
Frequently Asked Questions
Common questions about Li6Mn3CoO10, answered from cross-validated data.
What is Li6Mn3CoO10?
Li6Mn3CoO10 is a metastable, semiconducting layered oxide containing lithium, manganese, cobalt, and oxygen, primarily studied for its potential in advanced battery material research.
What is Li6Mn3CoO10 used for?
What is the band gap of Li6Mn3CoO10?
Is Li6Mn3CoO10 a metal, semiconductor, or insulator?
Is Li6Mn3CoO10 thermodynamically stable?
What is the crystal structure of Li6Mn3CoO10?
How many polymorphs of Li6Mn3CoO10 are known?
What elements does Li6Mn3CoO10 contain?
Where does the data for Li6Mn3CoO10 come from?
How It Compares
Within the layered lithium transition-metal oxides class.
Within the diverse class of layered lithium transition-metal oxides, Li6Mn3CoO10 occupies a distinct position compared to well-established commercial standards like LiCoO2 or LiMn2O4. While materials such as LiCoO2 are prized for their high thermodynamic stability and reliable performance, Li6Mn3CoO10 is characterized by its metastable nature, making it a more specialized subject for experimental synthesis and structural analysis rather than immediate industrial deployment.
Related Compounds
Other Layered Lithium Transition-Metal Oxides in the database.
Data sources & attribution
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
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