Li3Mn2Cr2O8
Li3Mn2Cr2O8 is a semiconducting quaternary lithium transition-metal oxide that exists in a metastable state.
About Li3Mn2Cr2O8
Li3Mn2Cr2O8 is a complex layered lithium transition-metal oxide composed of lithium, manganese, chromium, and oxygen. As a semiconducting material, it represents a unique quaternary oxide system that has been characterized across multiple structural databases, reflecting significant interest in its atomic arrangement.
While this compound is currently identified as being above the thermodynamic hull, its structural diversity provides valuable insights into the phase space of lithium-rich transition-metal oxides. Understanding such metastable phases is critical for advancing the development of next-generation energy storage materials and cathode architectures.
Key Properties
Cross-validated computational properties for Li3Mn2Cr2O8, 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 Li3Mn2Cr2O8, 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 | 0.00 | 0.1782 | -7.728 | 4.03 |
| P-1 (No. 2) | triclinic | 0.15 | 0.1801 | -7.726 | 4.06 |
| P-1 (No. 2) | Triclinic | — | — | — | 4.06 |
| P-1 (No. 2) | Triclinic | — | — | — | 4.47 |
| P-1 (No. 2) | Triclinic | — | — | — | 4.28 |
| C2/m (No. 12) | — | — | — | — | — |
| C2/m (No. 12) | — | — | — | — | — |
Applications
Where Li3Mn2Cr2O8 is used.
Frequently Asked Questions
Common questions about Li3Mn2Cr2O8, answered from cross-validated data.
What is Li3Mn2Cr2O8?
Li3Mn2Cr2O8 is a semiconducting quaternary lithium transition-metal oxide that exists in a metastable state.
What is Li3Mn2Cr2O8 used for?
What is the band gap of Li3Mn2Cr2O8?
Is Li3Mn2Cr2O8 a metal, semiconductor, or insulator?
Is Li3Mn2Cr2O8 thermodynamically stable?
What is the crystal structure of Li3Mn2Cr2O8?
What is the density of Li3Mn2Cr2O8?
How many polymorphs of Li3Mn2Cr2O8 are known?
What elements does Li3Mn2Cr2O8 contain?
Where does the data for Li3Mn2Cr2O8 come from?
How It Compares
Within the layered lithium transition-metal oxides class.
Within the broad family of layered lithium transition-metal oxides, Li3Mn2Cr2O8 occupies a distinct position compared to more established, thermodynamically stable members like LiCoO2 or LiNiO2. Unlike the highly optimized commercial cathodes, this compound exhibits a higher degree of structural complexity and metastability, serving as a subject of fundamental research rather than immediate industrial deployment.
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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