Li4MnCo2O7
Li4MnCo2O7 is a metastable, semiconducting layered oxide containing lithium, manganese, and cobalt, primarily researched for its potential applications in battery technology.
About Li4MnCo2O7
Li4MnCo2O7 is a complex layered lithium transition-metal oxide characterized by its semiconducting electronic nature. As a metastable phase, it represents a unique configuration within the broader family of lithium-based cathode materials, offering a distinct structural arrangement of lithium, manganese, cobalt, and oxygen atoms.
This compound is primarily studied for its potential role in energy storage technologies. Its specific composition and structural stability are subjects of ongoing investigation to understand how transition-metal ordering influences electrochemical performance in next-generation battery architectures.
Key Properties
Cross-validated computational properties for Li4MnCo2O7, aggregated across 1 database.
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 Li4MnCo2O7. 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 Li4MnCo2O7, 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 | 0.67 | 0.0000 | -1.908 | — |
| P1 (No. 1) | triclinic | 0.75 | 0.0026 | -1.905 | — |
| P1 (No. 1) | triclinic | 0.70 | 0.0033 | -1.904 | — |
| P1 (No. 1) | triclinic | 0.68 | 0.0041 | -1.904 | — |
| C2 (No. 5) | monoclinic | 0.65 | 0.0047 | -1.903 | — |
| C2/m (No. 12) | monoclinic | 0.34 | 0.0090 | -1.899 | — |
| C2/m (No. 12) | monoclinic | 0.47 | 0.0094 | -1.898 | — |
| C2/m (No. 12) | monoclinic | 0.30 | 0.0096 | -1.898 | — |
| C2/m (No. 12) | monoclinic | 0.33 | 0.0103 | -1.897 | — |
| P1 (No. 1) | triclinic | 0.53 | 0.0107 | -1.897 | — |
| P-1 (No. 2) | triclinic | 0.55 | 0.0109 | -1.897 | — |
| P1 (No. 1) | triclinic | 0.52 | 0.0111 | -1.897 | — |
Applications
Where Li4MnCo2O7 is used.
Frequently Asked Questions
Common questions about Li4MnCo2O7, answered from cross-validated data.
What is Li4MnCo2O7?
Li4MnCo2O7 is a metastable, semiconducting layered oxide containing lithium, manganese, and cobalt, primarily researched for its potential applications in battery technology.
What is Li4MnCo2O7 used for?
What is the band gap of Li4MnCo2O7?
Is Li4MnCo2O7 a metal, semiconductor, or insulator?
Is Li4MnCo2O7 thermodynamically stable?
What is the crystal structure of Li4MnCo2O7?
How many polymorphs of Li4MnCo2O7 are known?
What elements does Li4MnCo2O7 contain?
Where does the data for Li4MnCo2O7 come from?
How It Compares
Within the layered lithium transition-metal oxides class.
Within the diverse class of layered lithium transition-metal oxides, Li4MnCo2O7 occupies a specialized niche compared to more conventional, widely utilized members like LiCoO2 or LiNiO2. While those materials are frequently employed as stable, high-capacity cathode components, Li4MnCo2O7 presents a more complex, metastable structural profile that distinguishes it from the standard binary or ternary transition-metal oxide frameworks found in commercial systems.
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)
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