LiMn2O4
Lithium manganese oxide · LMO, Lithium manganate
Lithium manganese oxide is a crystalline inorganic compound primarily utilized as a cathode material in rechargeable lithium-ion batteries. It is valued for its ability to facilitate the rapid movement of lithium ions, which supports high power delivery in various electronic devices.
Overview
Key Properties
Cross-validated computational properties for Lithium manganese oxide, 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.
0.01–1.05 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.
0.000 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.
On hull (stable)
2 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
35
4 databases, 12 space groups
Validation
Cross-Source DFT Agreement
How well independent DFT databases agree on the thermodynamics of LiMn2O4. Tight agreement means computed properties can be trusted without re-running calculations.
Agreement ScoreA normalized confidence score summarizing how closely independent DFT databases agree. Higher scores mean tighter cross-source agreement.
1.00 / 1.00
Trust tier: medium
Hull SpreadDifference between the highest and lowest energy-above-hull values reported by comparable sources. Smaller spread means less thermodynamic disagreement.
0.000 eV
EAH spread across sources
Sources ComparedNumber and names of computational sources with comparable entries for this formula.
2
jarvis, materials_project
Space Group ConsensusWhether independent sources predict the same crystal symmetry for the lowest-energy structure.
All match
Crystallography
Reported Structures
Lowest-energy structures reported for LiMn2O4, 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. |
|---|---|---|---|---|---|
| Imma (No. 74) | orthorhombic | 0.43 | 0.0000 | -7.786 | 4.04 |
| P1 (No. 1) | triclinic | 0.39 | 0.0050 | -7.781 | 4.01 |
| Fddd (No. 70) | orthorhombic | 0.00 | 0.0188 | -7.767 | 4.02 |
| P1 (No. 1) | triclinic | 0.35 | 0.0199 | -7.766 | 4.03 |
| Fddd (No. 70) | orthorhombic | 0.00 | 0.0241 | -7.762 | 4.05 |
| P63mc (No. 186) | hexagonal | 0.08 | 0.0274 | -7.759 | 4.13 |
| Fd-3m (No. 227) | cubic | 0.00 | 0.0450 | -7.741 | 4.58 |
| P-1 (No. 2) | triclinic | 1.05 | 0.0455 | -7.740 | 4.01 |
| R3m (No. 160) | trigonal | 0.31 | 0.0463 | -7.740 | 4.10 |
| C2/c (No. 15) | monoclinic | 0.66 | 0.0495 | -7.736 | 4.01 |
| P1 (No. 1) | triclinic | 0.54 | 0.0591 | -7.727 | 3.93 |
| Cc (No. 9) | monoclinic | 0.00 | 0.0591 | -7.727 | 4.32 |
Synthesis
Synthesis Routes
Literature-extracted synthesis procedures targeting LiMn2O4.
Sol-Gel
Procedure available · ceder_solid_state
Sol-Gel
Procedure available · ceder_solid_state
Sol-Gel
Procedure available · ceder_solid_state
Sol-Gel
Procedure available · ceder_solid_state
Sol-Gel
Procedure available · ceder_solid_state
Sol-Gel
Procedure available · ceder_solid_state
Uses
Applications
Where Lithium manganese oxide is used.
Lithium-ion batteriesPower toolsElectric vehiclesMedical devices
Reference
Frequently Asked Questions
Common questions about Lithium manganese oxide, answered from cross-validated data.
What is LiMn2O4?
Lithium manganese oxide is a crystalline inorganic compound primarily utilized as a cathode material in rechargeable lithium-ion batteries. It is valued for its ability to facilitate the rapid movement of lithium ions, which supports high power delivery in various electronic devices.
What is LiMn2O4 used for?
Lithium manganese oxide (LiMn2O4) is used in lithium-ion batteries, power tools, electric vehicles, and medical devices.
What is the band gap of LiMn2O4?
Lithium manganese oxide (LiMn2O4) has a DFT-computed band gap of 0.01–1.05 eV across 35 reported structures.
Is LiMn2O4 a metal, semiconductor, or insulator?
With a band gap up to 1.05 eV it is a semiconductor.
Is LiMn2O4 thermodynamically stable?
Yes — Lithium manganese oxide (LiMn2O4) sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of LiMn2O4?
The lowest-energy reported polymorph of Lithium manganese oxide (LiMn2O4) is orthorhombic symmetry, space group Imma (No. 74).
What is the density of LiMn2O4?
The computed density of the ground-state structure of Lithium manganese oxide (LiMn2O4) is 4.04 g/cm³.
How many polymorphs of LiMn2O4 are known?
35 structures of LiMn2O4 are reported across 4 databases, spanning 12 distinct space groups.
How is LiMn2O4 synthesized?
Literature-reported routes for LiMn2O4 include sol-gel (10 procedures documented).
What elements does LiMn2O4 contain?
Lithium manganese oxide (LiMn2O4) contains Li, Mn, and O (3 elements).
Where does the data for LiMn2O4 come from?
LiMn2O4 data is cross-referenced from materials_project, mpaloe, jarvis.
Reading
Related Research
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.
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
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