Li3Mn2O4
Li3Mn2O4 is a semimetallic layered lithium transition-metal oxide that is generally considered thermodynamically unstable.
About Li3Mn2O4
Li3Mn2O4 belongs to the class of layered lithium transition-metal oxides, characterized by a semimetallic electronic nature. This compound represents a complex arrangement of lithium, manganese, and oxygen atoms that has been documented across multiple structural databases.
Due to its position above the thermodynamic hull, the material is considered potentially unstable under standard conditions. Its electronic behavior and structural configuration make it an intriguing subject for researchers studying the limits of lithium-manganese oxide phase stability.
Key Properties
Cross-validated computational properties for Li3Mn2O4, 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 Li3Mn2O4, 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/c (No. 15) | monoclinic | 0.09 | 0.1945 | -6.776 | 3.80 |
| I41/amd (No. 141) | tetragonal | 0.00 | 0.2075 | -6.763 | 3.86 |
| Imma (No. 74) | orthorhombic | 0.00 | 0.2106 | -6.760 | 3.88 |
| I41/amd (No. 141) | — | — | — | — | — |
| — | — | — | — | — | 3.25 |
Applications
Where Li3Mn2O4 is used.
Frequently Asked Questions
Common questions about Li3Mn2O4, answered from cross-validated data.
What is Li3Mn2O4?
Li3Mn2O4 is a semimetallic layered lithium transition-metal oxide that is generally considered thermodynamically unstable.
What is Li3Mn2O4 used for?
What is the band gap of Li3Mn2O4?
Is Li3Mn2O4 a metal, semiconductor, or insulator?
Is Li3Mn2O4 thermodynamically stable?
What is the crystal structure of Li3Mn2O4?
What is the density of Li3Mn2O4?
How many polymorphs of Li3Mn2O4 are known?
What elements does Li3Mn2O4 contain?
Where does the data for Li3Mn2O4 come from?
How It Compares
Within the layered lithium transition-metal oxides class.
Unlike the highly stable and commercially ubiquitous LiCoO2 or the spinel-structured LiMn2O4, Li3Mn2O4 exists in a more precarious thermodynamic state. While its siblings like LiNiO2 are widely utilized for their electrochemical performance in battery cathodes, this specific stoichiometry is less common and presents unique challenges regarding structural integrity compared to the more robust members of the layered oxide class.
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).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
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