Batteries — Cathodes

Spinel Lithium Manganese Oxides

Three-dimensional spinel frameworks such as LiMn2O4 and the high-voltage LiNi0.5Mn1.5O4, offering fast Li-ion diffusion and low-cost manganese chemistry for power-oriented cells.

At a glance

Class Statistics

Compounds Tracked
1,417
Multi-Source DFT
0
With Synthesis Routes
83
Avg. Agreement
1.00 / 1.00
Members

Top Spinel Lithium Manganese Oxides

Ranked by data richness — literature synthesis coverage, multi-source DFT corroboration, and patent activity.

FormulaBand GapBest EAH (eV/atom)StabilityDFT SourcesRecipes
LiMn2O40.02–1.22 eV0.0000Stable1386
LiMnO20.02–1.99 eV0.0000Stable123
Li2MnO30.61–2.08 eV0.0000Stable157
Li2Mn3NiO80.28–1.85 eV0.0000Stable1171
Li2MnNiO40.30 eV0.0308Metastable127
Li2Mn2O40.46–0.94 eV—Not assessed—23
Li4Mn2O61.80 eV—Not assessed—57
Li4Mn4O81.22 eV—Not assessed—23
Li8Mn4O121.80 eV—Not assessed—57
Li2MnSiO41.89–3.36 eV0.0000Stable115
Li4Mn5O121.00–1.22 eV0.0000On hull (stable)—16
Li2Mn3FeO80.05 eV0.0000Stable115
Li2Mn4O8Metallic / not reported—Not assessed—386
Li2MnO4Si1.96–3.07 eV0.0000On hull (stable)—15
Li0.5Mn0.5OMetallic / not reported—Not assessed—23
LiMn0.5Ni0.5O2Metallic / not reported—Not assessed—27
LiMn1.5Ni0.5O4Metallic / not reported—Not assessed—171
FeLi2Mn3O80.01–0.87 eV0.0073Near hull (likely stable)—15
Li2Mn3CoO80.07 eV0.0086Stable112
Li4Mn2O8Si23.07 eV—Not assessed—15
CoLi2Mn3O80.25–1.37 eV0.0000On hull (stable)—12
LiMnCoO40.29–1.56 eV0.0000Stable19
CoLiMnO40.25 eV0.0294Metastable—9
LiMnBO31.47–3.01 eV0.0000Metastable16
Li2Mn4O90.25 eV0.0829Metastable—8
BLiMnO31.97–2.93 eV0.0007On hull (stable)—6
Li3MnCoO50.01–0.77 eV0.0000Stable14
Li2Mn3O8Ti0.73–0.96 eV0.0154Near hull (likely stable)—6
CoLi3MnO50.01–1.73 eV0.0491Metastable—4
LiMnO4Ti0.02–1.52 eV0.0196Near hull (likely stable)—5
Li2MnO20.35–2.92 eV0.0041Metastable13
Cr2Li5Mn3O100.91 eV0.0359Metastable—5
B3Li3Mn3O92.58 eV—Not assessed—6
FeLiMnO40.62–1.43 eV0.0073Near hull (likely stable)—4
Li2MnO8Sn31.19 eV0.0459Metastable—4
Li5Mn3O80.20–1.18 eV0.0000Stable10
LiTiMnO4Metallic / not reported0.0385Metastable15
Li5Mn3Cr2O10Metallic / not reported0.0238Stable15
Li2MgMn3O80.73–1.99 eV0.0000Stable11
Li5Mn7O160.78 eV0.0000On hull (stable)—3
LiMnVO40.15–2.20 eV0.0000Stable11
Li4Mn3O70.30–1.26 eV0.0005Stable10
Li7Mn5O120.07–1.29 eV0.0000Stable10
Li3MnO4Metallic / not reported0.0087Stable14
Li3Mn4O80.25–0.74 eV0.0266Metastable10
Li4Mn3CoO80.05–0.37 eV0.0629Metastable10
Li7Mn4CoO120.02–0.20 eV0.0127Stable10
Li4Mn3NbO80.02–0.97 eV0.0744Metastable10
LiMnFeO4Metallic / not reported0.0262Metastable14
Li3Mn2O50.12–1.41 eV0.0000Stable10
Reference

Frequently Asked Questions

How many spinel lithium manganese oxides are in the database?

1,417 spinel lithium manganese oxides are tracked, of which 0 have multi-source DFT validation and 83 have documented synthesis routes.

More questions
What is the most data-rich spinel lithium manganese oxide?
LiMn2O4 is the most thoroughly characterized, with 68 reported structures.
Which spinel lithium manganese oxide has the widest band gap?
Among the top compounds, Li2MnSiO4 has the widest reported DFT band gap (3.36 eV).
Why are spinel manganese oxides preferred for power-oriented applications?
Their three-dimensional crystal framework provides open, interconnected pathways that allow lithium ions to move rapidly through the structure, enabling high power density and fast charging.
What is the primary advantage of using manganese in these cathode materials?
Manganese is significantly more abundant and less expensive than other transition metals like cobalt or nickel, making it a sustainable and cost-effective choice for large-scale battery production.
What is the role of nickel substitution in LiNi0.5Mn1.5O4?
Nickel substitution is used to elevate the operating voltage of the cathode, which directly contributes to a higher overall energy density for the battery cell.
What is the main drawback associated with the cycling of spinel manganese oxides?
The primary challenge is capacity degradation, often linked to the dissolution of manganese into the electrolyte and structural strain during the lithiation and delithiation processes.
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