LiMnNbO4
LiMnNbO4 is a stable, semiconducting layered oxide containing lithium, manganese, and niobium that is investigated for use in electrochemical energy storage.
About LiMnNbO4
LiMnNbO4 is a semiconducting member of the layered lithium transition-metal oxide family. As a thermodynamically stable phase residing on the convex hull, it represents a robust structural configuration within its chemical system, supported by a significant body of structural data across multiple databases. Its electronic properties and structural integrity make it a subject of interest for researchers investigating ion mobility and electrochemical performance. The compound is primarily studied for its potential utility in next-generation battery technologies where stable, high-performance electrode materials are required. By leveraging the interplay between lithium, manganese, and niobium, this oxide offers a unique platform for exploring charge-transfer mechanisms in complex transition-metal frameworks.
Key Properties
Cross-validated computational properties for LiMnNbO4, 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.
Reported Structures
Lowest-energy structures reported for LiMnNbO4, 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. |
|---|---|---|---|---|---|
| P4322 (No. 95) | tetragonal | 2.71 | 0.0000 | -8.512 | 4.26 |
| P4322 (No. 95) | tetragonal | 2.78 | 0.0170 | -8.495 | 4.30 |
| Imma (No. 74) | orthorhombic | 0.00 | 0.0803 | -8.431 | 4.16 |
| P4322 (No. 95) | — | — | — | — | — |
| P4322 (No. 95) | Tetragonal | — | — | — | 4.30 |
| P4322 (No. 95) | Tetragonal | — | — | — | 4.51 |
| P4322 (No. 95) | Tetragonal | — | — | — | 4.26 |
| P4322 (No. 95) | Tetragonal | — | — | — | 4.40 |
| Imma (No. 74) | Orthorhombic | — | — | — | 4.16 |
| P4322 (No. 95) | Tetragonal | — | — | — | 4.44 |
| P4322 (No. 95) | Tetragonal | — | — | — | 4.51 |
| P4322 (No. 95) | — | — | — | — | — |
Applications
Where LiMnNbO4 is used.
Frequently Asked Questions
Common questions about LiMnNbO4, answered from cross-validated data.
What is LiMnNbO4?
LiMnNbO4 is a stable, semiconducting layered oxide containing lithium, manganese, and niobium that is investigated for use in electrochemical energy storage.
What is LiMnNbO4 used for?
What is the band gap of LiMnNbO4?
Is LiMnNbO4 a metal, semiconductor, or insulator?
Is LiMnNbO4 thermodynamically stable?
What is the crystal structure of LiMnNbO4?
What is the density of LiMnNbO4?
How many polymorphs of LiMnNbO4 are known?
What elements does LiMnNbO4 contain?
Where does the data for LiMnNbO4 come from?
How It Compares
Within the layered lithium transition-metal oxides class.
Within the diverse class of layered lithium transition-metal oxides, LiMnNbO4 distinguishes itself through its specific elemental composition compared to more traditional cathode materials like LiCoO2 or LiNiO2. While siblings such as LiMn2O4 and Li2MnO3 are widely recognized for their roles in commercial battery systems, LiMnNbO4 provides a distinct structural alternative by incorporating niobium, which modifies the electronic landscape and stability profile compared to the more manganese-rich variants like LiMnO2 or Li5Mn3O8.
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).
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
- mpaloe — Data from mpaloe.
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