Li2MnCo3O8
Li2MnCo3O8 is a stable semiconducting lithium transition-metal oxide used in the study of advanced battery electrode materials.
About Li2MnCo3O8
Li2MnCo3O8 belongs to the class of layered lithium transition-metal oxides, characterized by its semiconducting electronic structure and thermodynamic stability on the convex hull. Its structural integrity makes it a subject of significant interest for researchers investigating high-performance energy storage materials.
The compound is part of a diverse family of lithium-based oxides that facilitate ionic transport. Its unique composition of manganese and cobalt within the layered framework provides a distinct electrochemical profile, positioning it as a candidate for next-generation battery technologies.
Key Properties
Cross-validated computational properties for Li2MnCo3O8, 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 Li2MnCo3O8, 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. |
|---|---|---|---|---|---|
| C2 (No. 5) | monoclinic | 0.00 | 0.0000 | -6.957 | 4.64 |
| P4332 (No. 212) | cubic | 0.01 | 0.0171 | -6.940 | 4.64 |
| R-3m (No. 166) | trigonal | 0.00 | 0.0349 | -6.922 | 4.47 |
| C2/m (No. 12) | monoclinic | 0.00 | 0.0457 | -6.911 | 4.53 |
| P63mc (No. 186) | hexagonal | 0.00 | 0.0565 | -6.900 | 4.86 |
| C2/m (No. 12) | monoclinic | 0.66 | 0.0611 | -6.896 | 4.41 |
| C2/c (No. 15) | monoclinic | 0.87 | 0.0895 | -6.867 | 4.30 |
| P2/c (No. 13) | monoclinic | 1.42 | 0.0953 | -6.861 | 4.30 |
| P-1 (No. 2) | triclinic | 0.00 | 0.1134 | -6.843 | 4.42 |
| P-1 (No. 2) | triclinic | 0.14 | 0.1166 | -6.840 | 4.36 |
| P-1 (No. 2) | triclinic | 0.33 | 0.1198 | -6.837 | 4.29 |
| C2/m (No. 12) | — | — | — | — | — |
Applications
Where Li2MnCo3O8 is used.
Frequently Asked Questions
Common questions about Li2MnCo3O8, answered from cross-validated data.
What is Li2MnCo3O8?
Li2MnCo3O8 is a stable semiconducting lithium transition-metal oxide used in the study of advanced battery electrode materials.
What is Li2MnCo3O8 used for?
What is the band gap of Li2MnCo3O8?
Is Li2MnCo3O8 a metal, semiconductor, or insulator?
Is Li2MnCo3O8 thermodynamically stable?
What is the crystal structure of Li2MnCo3O8?
What is the density of Li2MnCo3O8?
How many polymorphs of Li2MnCo3O8 are known?
What elements does Li2MnCo3O8 contain?
Where does the data for Li2MnCo3O8 come from?
How It Compares
Within the layered lithium transition-metal oxides class.
Within the broad family of layered lithium transition-metal oxides, Li2MnCo3O8 occupies a unique niche compared to more conventional materials like LiCoO2. While LiCoO2 is the industry standard for cathode chemistry, Li2MnCo3O8 offers a different elemental balance that influences its structural stability and electronic behavior, distinguishing it from manganese-rich variants like Li5Mn3O8 or Li3Mn4O8.
Related Compounds
Other Layered Lithium Transition-Metal Oxides in the database.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
- mpaloe — Data from mpaloe.
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