LiMnCrO4
LiMnCrO4 is a metastable, semimetallic layered oxide used in materials science research for potential applications in lithium-ion battery electrodes.
About LiMnCrO4
LiMnCrO4 is a complex layered lithium transition-metal oxide that features a unique arrangement of lithium, manganese, chromium, and oxygen. Its electronic structure is characterized as near-zero-gap, placing it in the semimetallic regime, which is distinct from many of its insulating or semiconducting counterparts in the oxide family.
As a metastable material, it represents a synthetic challenge and a subject of significant interest for researchers exploring new cathode chemistries. Its ability to host lithium ions within its layered framework makes it a candidate for investigation in high-performance battery technologies where electronic conductivity and structural stability are balanced.
Key Properties
Cross-validated computational properties for LiMnCrO4, 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 LiMnCrO4, 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. |
|---|---|---|---|---|---|
| Imma (No. 74) | orthorhombic | 0.02 | 0.0732 | -8.015 | 4.03 |
| Imma (No. 74) | Orthorhombic | — | — | — | 4.03 |
| Imma (No. 74) | Orthorhombic | — | — | — | 4.47 |
| Imma (No. 74) | Orthorhombic | — | — | — | 4.23 |
| Imma (No. 74) | — | — | — | — | — |
Applications
Where LiMnCrO4 is used.
Frequently Asked Questions
Common questions about LiMnCrO4, answered from cross-validated data.
What is LiMnCrO4?
LiMnCrO4 is a metastable, semimetallic layered oxide used in materials science research for potential applications in lithium-ion battery electrodes.
What is LiMnCrO4 used for?
What is the band gap of LiMnCrO4?
Is LiMnCrO4 a metal, semiconductor, or insulator?
Is LiMnCrO4 thermodynamically stable?
What is the crystal structure of LiMnCrO4?
What is the density of LiMnCrO4?
How many polymorphs of LiMnCrO4 are known?
What elements does LiMnCrO4 contain?
Where does the data for LiMnCrO4 come from?
How It Compares
Within the layered lithium transition-metal oxides class.
Within the broad class of layered lithium transition-metal oxides, LiMnCrO4 occupies a niche position due to its semimetallic character, contrasting with the more conventional insulating behavior of materials like LiCoO2 or LiAlO2. While LiMn2O4 is widely utilized for its stable spinel structure, LiMnCrO4 serves as an experimental exploration into how substituting chromium into the manganese-based lattice alters the electronic density of states and electrochemical potential.
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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