Li4Mn3NbO8
Li4Mn3NbO8 is a semiconducting, metastable layered lithium transition-metal oxide used in advanced materials research for battery applications.
About Li4Mn3NbO8
Li4Mn3NbO8 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 oxide materials, drawing significant attention for its potential in electrochemical energy storage systems.
Its composition, incorporating lithium, manganese, niobium, and oxygen, allows for intricate lattice configurations that are essential for ion mobility. Researchers study this compound to understand how transition-metal substitution influences the stability and performance of layered oxide cathodes in next-generation battery technologies.
Key Properties
Cross-validated computational properties for Li4Mn3NbO8, 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.
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.
Reported Structures
Lowest-energy structures reported for Li4Mn3NbO8, 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. |
|---|---|---|---|---|---|
| C2/c (No. 15) | monoclinic | 0.97 | 0.0744 | -7.633 | 4.16 |
| P-1 (No. 2) | triclinic | 0.69 | 0.0744 | -7.633 | 4.16 |
| P1 (No. 1) | triclinic | 0.81 | 0.0747 | -7.632 | 4.18 |
| P2/c (No. 13) | monoclinic | 0.79 | 0.0763 | -7.631 | 4.17 |
| P-1 (No. 2) | triclinic | 0.45 | 0.0796 | -7.627 | 4.15 |
| P1 (No. 1) | triclinic | 0.63 | 0.0805 | -7.627 | 4.18 |
| P-1 (No. 2) | triclinic | 0.41 | 0.0807 | -7.626 | 4.17 |
| P-1 (No. 2) | triclinic | 0.00 | 0.0840 | -7.623 | 4.18 |
| C2/m (No. 12) | monoclinic | 0.00 | 0.0892 | -7.618 | 4.20 |
| R-3m (No. 166) | trigonal | 0.02 | 0.0897 | -7.617 | 4.16 |
| R3m (No. 160) | trigonal | 0.00 | 0.0935 | -7.614 | 4.16 |
| Cm (No. 8) | monoclinic | 0.38 | 0.4800 | -7.227 | 4.16 |
Applications
Where Li4Mn3NbO8 is used.
Frequently Asked Questions
Common questions about Li4Mn3NbO8, answered from cross-validated data.
What is Li4Mn3NbO8?
Li4Mn3NbO8 is a semiconducting, metastable layered lithium transition-metal oxide used in advanced materials research for battery applications.
What is Li4Mn3NbO8 used for?
What is the band gap of Li4Mn3NbO8?
Is Li4Mn3NbO8 a metal, semiconductor, or insulator?
Is Li4Mn3NbO8 thermodynamically stable?
What is the crystal structure of Li4Mn3NbO8?
What is the density of Li4Mn3NbO8?
How many polymorphs of Li4Mn3NbO8 are known?
What elements does Li4Mn3NbO8 contain?
Where does the data for Li4Mn3NbO8 come from?
How It Compares
Within the layered lithium transition-metal oxides class.
Within the diverse class of layered lithium transition-metal oxides, Li4Mn3NbO8 occupies a distinct position compared to more conventional materials like LiCoO2 or LiMn2O4. While many of its siblings are widely utilized in commercial battery cathodes, this compound is notable for its metastable state, offering a different structural pathway for lithium diffusion compared to the more thermodynamically stable Li2MnO3 or LiNiO2.
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.
- nomad — Data from NOMAD. Cite: Draxl & Scheffler, J. Phys. Mater. 2, 036001 (2019).
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
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