Li3Mn3CrO8
Li3Mn3CrO8 is a complex, semiconducting lithium transition-metal oxide primarily investigated for its potential role in advanced battery electrode research.
About Li3Mn3CrO8
Li3Mn3CrO8 is a complex transition-metal oxide belonging to the layered lithium-based family. As a semiconducting material, it represents a synthetic attempt to integrate chromium into a manganese-rich lithium oxide framework to modulate electrochemical performance.
Because this compound sits above the thermodynamic hull, it is considered inherently unstable under standard conditions. Its existence in multiple reported structures highlights the ongoing research into metastable phases that could potentially offer unique pathways for ion transport in energy storage devices.
Key Properties
Cross-validated computational properties for Li3Mn3CrO8, 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 Li3Mn3CrO8, 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/m (No. 12) | monoclinic | 0.00 | 0.1452 | -7.617 | 4.04 |
| Cc (No. 9) | monoclinic | 0.44 | 0.1618 | -7.600 | 4.24 |
| Cmc21 (No. 36) | orthorhombic | 0.00 | 0.2339 | -7.528 | 4.61 |
| Cc (No. 9) | Monoclinic | — | — | — | 4.24 |
| Cc (No. 9) | Monoclinic | — | — | — | 4.65 |
| C2/m (No. 12) | Monoclinic | — | — | — | 4.04 |
| C2/m (No. 12) | Monoclinic | — | — | — | 4.21 |
| Cc (No. 9) | Monoclinic | — | — | — | 4.48 |
| C2/m (No. 12) | Monoclinic | — | — | — | 4.35 |
| R-3m (No. 166) | — | — | — | — | — |
Applications
Where Li3Mn3CrO8 is used.
Frequently Asked Questions
Common questions about Li3Mn3CrO8, answered from cross-validated data.
What is Li3Mn3CrO8?
Li3Mn3CrO8 is a complex, semiconducting lithium transition-metal oxide primarily investigated for its potential role in advanced battery electrode research.
What is Li3Mn3CrO8 used for?
What is the band gap of Li3Mn3CrO8?
Is Li3Mn3CrO8 a metal, semiconductor, or insulator?
Is Li3Mn3CrO8 thermodynamically stable?
What is the crystal structure of Li3Mn3CrO8?
What is the density of Li3Mn3CrO8?
How many polymorphs of Li3Mn3CrO8 are known?
What elements does Li3Mn3CrO8 contain?
Where does the data for Li3Mn3CrO8 come from?
How It Compares
Within the layered lithium transition-metal oxides class.
Unlike the highly stable and commercially ubiquitous LiCoO2 or LiMn2O4, Li3Mn3CrO8 is a more exotic and less robust member of the layered oxide class. While siblings like Li2MnO3 are foundational to high-capacity cathode research, this specific chromium-doped variant faces significant challenges regarding structural integrity compared to the more conventional 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.
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
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