LiMg6MnO8
This material is a complex oxide containing lithium, magnesium, and manganese. It is primarily studied for its structural properties and potential utility in advanced electrochemical energy storage systems.
Overview
Key Properties
Cross-validated computational properties for LiMg6MnO8, 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.
0.68–1.53 eV
Range across DFT structures
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.
0.025 eV/atom
Best (lowest) across sources
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.
Near hull (likely stable)
2 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
9
3 databases, 1 space group
Crystallography
Reported Structures
Lowest-energy structures reported for LiMg6MnO8, 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. |
|---|---|---|---|---|---|
| P4/mmm (No. 123) | tetragonal | 1.53 | 0.0245 | -6.572 | 3.62 |
| P4/mmm (No. 123) | tetragonal | 0.68 | 0.0289 | -6.567 | 3.66 |
| P4/mmm (No. 123) | Tetragonal | — | — | — | 3.62 |
| P4/mmm (No. 123) | Tetragonal | — | — | — | 3.85 |
| P4/mmm (No. 123) | Tetragonal | — | — | — | 3.66 |
| P4/mmm (No. 123) | Tetragonal | — | — | — | 3.81 |
| P4/mmm (No. 123) | Tetragonal | — | — | — | 3.76 |
| P4/mmm (No. 123) | Tetragonal | — | — | — | 3.88 |
| — | — | — | — | — | 2.93 |
Uses
Applications
Where LiMg6MnO8 is used.
Battery researchSolid-state electrolyte developmentMaterials science research
Reference
Frequently Asked Questions
Common questions about LiMg6MnO8, answered from cross-validated data.
What is LiMg6MnO8?
This material is a complex oxide containing lithium, magnesium, and manganese. It is primarily studied for its structural properties and potential utility in advanced electrochemical energy storage systems.
More questions
What is LiMg6MnO8 used for?
LiMg6MnO8 is used in battery research, solid-state electrolyte development, and materials science research.
What is the band gap of LiMg6MnO8?
LiMg6MnO8 has a DFT-computed band gap of 0.68–1.53 eV across 9 reported structures.
Is LiMg6MnO8 a metal, semiconductor, or insulator?
With a band gap up to 1.53 eV it is a semiconductor.
Is LiMg6MnO8 thermodynamically stable?
LiMg6MnO8 has a lowest energy above hull of 0.025 eV/atom (near hull (likely stable)).
What is the crystal structure of LiMg6MnO8?
The lowest-energy reported polymorph of LiMg6MnO8 is tetragonal symmetry, space group P4/mmm (No. 123).
What is the density of LiMg6MnO8?
The computed density of the ground-state structure of LiMg6MnO8 is 3.62 g/cm³.
How many polymorphs of LiMg6MnO8 are known?
9 structures of LiMg6MnO8 are reported across 3 databases, spanning 1 distinct space group.
What elements does LiMg6MnO8 contain?
LiMg6MnO8 contains Li, Mg, Mn, and O (4 elements).
Where does the data for LiMg6MnO8 come from?
LiMg6MnO8 data is cross-referenced from materials_project, mpaloe, omat24.
Explore
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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