Li3MnO3
Li3MnO3 is a semiconducting layered lithium transition-metal oxide that is potentially synthesizable for use in advanced battery technology.
About Li3MnO3
Li3MnO3 is a layered lithium transition-metal oxide that functions as a semiconductor. Its structural arrangement and electronic properties position it as a subject of interest for researchers investigating the next generation of energy storage materials.
As a near-hull phase, this compound is considered thermodynamically accessible for synthesis. It plays a role in the broader exploration of lithium-rich oxides, which are essential for developing high-capacity cathode materials in modern electrochemical devices.
Key Properties
Cross-validated computational properties for Li3MnO3, 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 Li3MnO3, 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. |
|---|---|---|---|---|---|
| P42/mnm (No. 136) | tetragonal | 1.55 | 0.0168 | -6.348 | 2.97 |
| P21/c (No. 14) | monoclinic | 2.50 | 0.0696 | -6.296 | 2.96 |
| P321 (No. 150) | trigonal | 0.74 | 0.0704 | -6.295 | 3.14 |
| P42/mnm (No. 136) | — | — | — | — | — |
| P42/mnm (No. 136) | — | — | — | — | — |
| P42/mnm (No. 136) | Tetragonal | — | — | — | 2.79 |
| P42/mnm (No. 136) | Tetragonal | — | — | — | 2.96 |
| P42/mnm (No. 136) | Tetragonal | — | — | — | 2.89 |
| P42/mnm (No. 136) | — | — | — | — | — |
| P21/c (No. 14) | — | — | — | — | — |
Applications
Where Li3MnO3 is used.
Frequently Asked Questions
Common questions about Li3MnO3, answered from cross-validated data.
What is Li3MnO3?
Li3MnO3 is a semiconducting layered lithium transition-metal oxide that is potentially synthesizable for use in advanced battery technology.
What is Li3MnO3 used for?
What is the band gap of Li3MnO3?
Is Li3MnO3 a metal, semiconductor, or insulator?
Is Li3MnO3 thermodynamically stable?
What is the crystal structure of Li3MnO3?
What is the density of Li3MnO3?
How many polymorphs of Li3MnO3 are known?
What elements does Li3MnO3 contain?
Where does the data for Li3MnO3 come from?
How It Compares
Within the layered lithium transition-metal oxides class.
Within the diverse family of layered lithium transition-metal oxides, Li3MnO3 occupies a unique compositional space compared to more conventional cathodes like LiCoO2 or LiNiO2. While it shares the fundamental layered architecture common to many members of this class, its specific stoichiometry distinguishes it from the more widely utilized Li2MnO3, placing it in a specialized category of manganese-based lithium oxides that are being evaluated for their structural stability and electrochemical performance.
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).
- 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).
- mpaloe — Data from mpaloe.
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