Li5Mn3Nb2O10
Li5Mn3Nb2O10 is a metastable, semiconducting layered lithium transition-metal oxide used in materials science research for energy storage applications.
About Li5Mn3Nb2O10
Li5Mn3Nb2O10 is a complex layered lithium transition-metal oxide characterized by its semiconducting electronic nature. As a metastable phase, it represents a unique structural arrangement within the broader family of lithium-based oxides, offering researchers a distinct platform for studying ion transport and structural evolution in battery materials. The integration of niobium into the manganese-lithium framework influences its electronic properties and potential electrochemical performance. Its stability profile makes it a subject of interest for advanced materials design where thermodynamic pathways can be tuned for specific energy storage applications.
Key Properties
Cross-validated computational properties for Li5Mn3Nb2O10, 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.
Cross-Source DFT Agreement
How well independent DFT databases agree on the thermodynamics of Li5Mn3Nb2O10. 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.
Hull SpreadDifference between the highest and lowest energy-above-hull values reported by comparable sources. Smaller spread means less thermodynamic disagreement.
Sources ComparedNumber and names of computational sources with comparable entries for this formula.
Space Group ConsensusWhether independent sources predict the same crystal symmetry for the lowest-energy structure.
Reported Structures
Lowest-energy structures reported for Li5Mn3Nb2O10, 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. |
|---|---|---|---|---|---|
| P-1 (No. 2) | triclinic | 0.19 | 0.0759 | -7.768 | 4.35 |
| P-1 (No. 2) | triclinic | 0.00 | 0.1066 | -2.163 | — |
| P-1 (No. 2) | triclinic | — | — | — | 4.34 |
Applications
Where Li5Mn3Nb2O10 is used.
Frequently Asked Questions
Common questions about Li5Mn3Nb2O10, answered from cross-validated data.
What is Li5Mn3Nb2O10?
Li5Mn3Nb2O10 is a metastable, semiconducting layered lithium transition-metal oxide used in materials science research for energy storage applications.
What is Li5Mn3Nb2O10 used for?
What is the band gap of Li5Mn3Nb2O10?
Is Li5Mn3Nb2O10 a metal, semiconductor, or insulator?
Is Li5Mn3Nb2O10 thermodynamically stable?
What is the crystal structure of Li5Mn3Nb2O10?
What is the density of Li5Mn3Nb2O10?
How many polymorphs of Li5Mn3Nb2O10 are known?
What elements does Li5Mn3Nb2O10 contain?
Where does the data for Li5Mn3Nb2O10 come from?
How It Compares
Within the layered lithium transition-metal oxides class.
Within the expansive class of layered lithium transition-metal oxides, Li5Mn3Nb2O10 occupies a specialized niche compared to more conventional cathode materials like LiCoO2 or LiNiO2. While those siblings are widely utilized for their stable layered structures and high energy density, Li5Mn3Nb2O10 is distinguished by its complex stoichiometry and metastable nature, setting it apart from the more common spinel or layered structures like LiMn2O4 or Li2MnO3.
Related Compounds
Other Layered Lithium Transition-Metal Oxides in the database.
Data sources & attribution
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
- alexandria — Data from Alexandria. Cite: Schmidt et al., npj Comput. Mater. 10, 200 (2024). (CC-BY-4.0)
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