LiMnPCO7
LiMnPCO7 is a semiconducting phosphate-based material designed for potential use as a cathode component in lithium-ion battery technologies.
About LiMnPCO7
LiMnPCO7 is a complex phosphate-based material belonging to the olivine-related structural family. As a semiconducting compound, it is being investigated for its potential to facilitate ion transport and charge storage in electrochemical energy systems. Its thermodynamic profile indicates it is near the stability hull, making it a viable candidate for experimental synthesis and further characterization in materials research. The compound is primarily studied for its role in the development of next-generation cathode materials, where structural integrity and electronic properties are critical for performance. Its unique composition, incorporating both phosphorus and carbon, distinguishes it from standard binary metal phosphates.
Key Properties
Cross-validated computational properties for LiMnPCO7, aggregated across 2 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 LiMnPCO7, 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 | 1.05 | 0.0192 | -7.677 | 2.60 |
| P21 (No. 4) | monoclinic | 1.05 | 0.0206 | -7.675 | 2.59 |
| P1 (No. 1) | triclinic | 1.17 | 0.0218 | -7.674 | 2.65 |
| P1 (No. 1) | triclinic | 1.10 | 0.0275 | -7.668 | 2.72 |
| P21/c (No. 14) | monoclinic | 0.98 | 0.0275 | -7.668 | 2.71 |
| P21/c (No. 14) | monoclinic | 1.11 | 0.0277 | -7.668 | 2.71 |
| P1 (No. 1) | triclinic | 1.10 | 0.0284 | -7.668 | 2.71 |
| P21/c (No. 14) | monoclinic | 1.07 | 0.0291 | -7.667 | 2.68 |
| P21/c (No. 14) | monoclinic | 1.06 | 0.0301 | -7.666 | 2.71 |
| P21/c (No. 14) | monoclinic | 1.11 | 0.0305 | -7.665 | 2.74 |
| P-1 (No. 2) | Triclinic | — | — | — | 2.60 |
| P-1 (No. 2) | Triclinic | — | — | — | 2.79 |
Applications
Where LiMnPCO7 is used.
Frequently Asked Questions
Common questions about LiMnPCO7, answered from cross-validated data.
What is LiMnPCO7?
LiMnPCO7 is a semiconducting phosphate-based material designed for potential use as a cathode component in lithium-ion battery technologies.
What is LiMnPCO7 used for?
What is the band gap of LiMnPCO7?
Is LiMnPCO7 a metal, semiconductor, or insulator?
Is LiMnPCO7 thermodynamically stable?
What is the crystal structure of LiMnPCO7?
What is the density of LiMnPCO7?
How many polymorphs of LiMnPCO7 are known?
What elements does LiMnPCO7 contain?
Where does the data for LiMnPCO7 come from?
How It Compares
Within the olivine phosphate cathodes class.
Within the class of olivine phosphate cathodes, LiMnPCO7 occupies a distinct niche compared to well-established benchmarks like LiFePO4 and LiMnPO4. While traditional olivines are defined by their specific transition metal-phosphate frameworks, the inclusion of carbon in the lattice of LiMnPCO7 suggests a departure from the standard stoichiometry seen in materials like Li2MnP2O7 or LiCoPO4, potentially offering different pathways for optimizing electrochemical kinetics and structural stability.
Related Compounds
Other Olivine Phosphate Cathodes 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.
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