LiMg14MnO16
LiMg14MnO16 is a semiconducting, near-hull stable lithium transition-metal oxide used in materials science research for potential battery and electrochemical applications.
About LiMg14MnO16
LiMg14MnO16 is a semiconducting member of the layered lithium transition-metal oxide family. Its structural arrangement and electronic properties position it as a subject of interest for researchers investigating complex oxide frameworks for energy storage applications. The material is characterized by its near-hull thermodynamic stability, suggesting it is a viable candidate for synthesis and experimental characterization.
As a multi-component oxide, this compound leverages the interplay between lithium, magnesium, and manganese to form a stable lattice. Its existence within a well-documented class of materials highlights its relevance in the ongoing search for novel electrode materials that can offer unique electrochemical performance compared to traditional binary or ternary oxides.
Key Properties
Cross-validated computational properties for LiMg14MnO16, 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 LiMg14MnO16, 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. |
|---|---|---|---|---|---|
| Pmmm (No. 47) | orthorhombic | 0.75 | 0.0093 | -6.453 | 3.54 |
| P4/mmm (No. 123) | tetragonal | 0.45 | 0.0218 | -6.440 | 3.54 |
| Pmmm (No. 47) | Orthorhombic | — | — | — | 3.54 |
| Pmmm (No. 47) | Orthorhombic | — | — | — | 3.75 |
| Pmmm (No. 47) | Orthorhombic | — | — | — | 3.68 |
| P4/mmm (No. 123) | Tetragonal | — | — | — | 3.54 |
| — | — | — | — | — | 2.79 |
| P4/mmm (No. 123) | Tetragonal | — | — | — | 3.74 |
| P4/mmm (No. 123) | Tetragonal | — | — | — | 3.68 |
Applications
Where LiMg14MnO16 is used.
Frequently Asked Questions
Common questions about LiMg14MnO16, answered from cross-validated data.
What is LiMg14MnO16?
LiMg14MnO16 is a semiconducting, near-hull stable lithium transition-metal oxide used in materials science research for potential battery and electrochemical applications.
What is LiMg14MnO16 used for?
What is the band gap of LiMg14MnO16?
Is LiMg14MnO16 a metal, semiconductor, or insulator?
Is LiMg14MnO16 thermodynamically stable?
What is the crystal structure of LiMg14MnO16?
What is the density of LiMg14MnO16?
How many polymorphs of LiMg14MnO16 are known?
What elements does LiMg14MnO16 contain?
Where does the data for LiMg14MnO16 come from?
How It Compares
Within the layered lithium transition-metal oxides class.
Within the broad class of layered lithium transition-metal oxides, LiMg14MnO16 represents a more complex, magnesium-rich variant compared to standard cathode materials like LiCoO2 or LiNiO2. While LiCoO2 and LiNiO2 are widely utilized for their high capacity, this compound offers a different structural profile that distinguishes it from simpler manganese-based systems like LiMnO2 or the spinel-structured LiMn2O4, focusing instead on a highly substituted framework.
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).
- mpaloe — Data from mpaloe.
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
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