LiMn4O8
This compound is a lithium manganese oxide material primarily investigated for its electrochemical properties. It is studied as a potential cathode material for advanced energy storage systems due to its structural characteristics.
Overview
Key Properties
Cross-validated computational properties for LiMn4O8, aggregated across 4 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.
0.16–0.57 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.
0.030 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.
Metastable
3 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
31
4 databases, 9 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for LiMn4O8, 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. |
|---|---|---|---|---|---|
| Cm (No. 8) | monoclinic | 0.18 | 0.0301 | -7.938 | 4.04 |
| P21/c (No. 14) | monoclinic | 0.16 | 0.0342 | -7.934 | 4.02 |
| C2/m (No. 12) | monoclinic | 0.00 | 0.0369 | -7.931 | 3.94 |
| C2/m (No. 12) | monoclinic | 0.57 | 0.0431 | -7.925 | 4.02 |
| P213 (No. 198) | cubic | 0.00 | 0.0452 | -7.923 | 4.05 |
| Cmc21 (No. 36) | orthorhombic | 0.00 | 0.0455 | -7.923 | 4.30 |
| F-43m (No. 216) | cubic | 0.00 | 0.0487 | -7.920 | 4.51 |
| R-3m (No. 166) | trigonal | 0.00 | 0.0859 | -7.882 | 4.05 |
| C2 (No. 5) | monoclinic | 0.00 | 0.0968 | -7.871 | 4.13 |
| I-4m2 (No. 119) | tetragonal | 0.00 | 0.4462 | -7.522 | 2.90 |
| C2/m (No. 12) | Monoclinic | — | — | — | 4.23 |
| — | — | — | — | — | 3.24 |
Uses
Applications
Where LiMn4O8 is used.
Lithium-ion battery researchElectrochemical energy storage development
Reference
Frequently Asked Questions
Common questions about LiMn4O8, answered from cross-validated data.
What is LiMn4O8?
This compound is a lithium manganese oxide material primarily investigated for its electrochemical properties. It is studied as a potential cathode material for advanced energy storage systems due to its structural characteristics.
More questions
What is LiMn4O8 used for?
LiMn4O8 is used in lithium-ion battery research and electrochemical energy storage development.
What is the band gap of LiMn4O8?
LiMn4O8 has a DFT-computed band gap of 0.16–0.57 eV across 31 reported structures.
Is LiMn4O8 a metal, semiconductor, or insulator?
With a band gap up to 0.57 eV it is a semiconductor.
Is LiMn4O8 thermodynamically stable?
LiMn4O8 has a lowest energy above hull of 0.030 eV/atom (metastable).
What is the crystal structure of LiMn4O8?
The lowest-energy reported polymorph of LiMn4O8 is monoclinic symmetry, space group Cm (No. 8).
What is the density of LiMn4O8?
The computed density of the ground-state structure of LiMn4O8 is 4.04 g/cm³.
How many polymorphs of LiMn4O8 are known?
31 structures of LiMn4O8 are reported across 4 databases, spanning 9 distinct space groups.
What elements does LiMn4O8 contain?
LiMn4O8 contains Li, Mn, and O (3 elements).
Where does the data for LiMn4O8 come from?
LiMn4O8 data is cross-referenced from materials_project, mpaloe, omat24, jarvis.
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).
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
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