Li2Mn2CuO6
Li2Mn2CuO6 is a semiconducting layered lithium transition-metal oxide that exists as a metastable phase within its material class.
About Li2Mn2CuO6
Li2Mn2CuO6 belongs to the class of layered lithium transition-metal oxides, a family of materials widely investigated for their electrochemical properties. As a semiconducting compound, it exhibits electronic behavior typical of complex transition-metal oxides where the arrangement of lithium and metal ions dictates charge transport characteristics.
While this material has been documented across multiple structural databases, it is characterized by thermodynamic instability, as it sits above the hull. This positioning suggests that while the compound can be synthesized in various structural configurations, it remains a metastable phase of interest for fundamental studies in solid-state chemistry.
Key Properties
Cross-validated computational properties for Li2Mn2CuO6, 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 Li2Mn2CuO6, 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. |
|---|---|---|---|---|---|
| Cmce (No. 64) | orthorhombic | 0.24 | 0.1089 | -6.850 | 4.08 |
| Cmce (No. 64) | — | — | — | — | — |
| Cmce (No. 64) | Orthorhombic | — | — | — | 4.44 |
| Cmce (No. 64) | Orthorhombic | — | — | — | 4.08 |
| Cmce (No. 64) | Orthorhombic | — | — | — | 4.26 |
Frequently Asked Questions
Common questions about Li2Mn2CuO6, answered from cross-validated data.
What is Li2Mn2CuO6?
Li2Mn2CuO6 is a semiconducting layered lithium transition-metal oxide that exists as a metastable phase within its material class.
What is the band gap of Li2Mn2CuO6?
Is Li2Mn2CuO6 a metal, semiconductor, or insulator?
Is Li2Mn2CuO6 thermodynamically stable?
What is the crystal structure of Li2Mn2CuO6?
What is the density of Li2Mn2CuO6?
How many polymorphs of Li2Mn2CuO6 are known?
What elements does Li2Mn2CuO6 contain?
Where does the data for Li2Mn2CuO6 come from?
How It Compares
Within the layered lithium transition-metal oxides class.
In the context of the layered lithium transition-metal oxide family, Li2Mn2CuO6 is less thermodynamically robust than highly stable, commercially significant members like LiCoO2 or LiNiO2. Unlike the well-ordered spinel structures of LiMn2O4, this compound represents a more complex, potentially unstable arrangement that highlights the diverse structural landscape of lithium-rich transition-metal oxides.
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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