LiMnPO5
LiMnPO5 is a metastable, semiconducting phosphate compound studied for its potential role in advanced electrochemical energy storage systems.
About LiMnPO5
LiMnPO5 is a complex phosphate compound belonging to the olivine-related family of materials. As a semiconducting phase, it represents a unique structural arrangement within the lithium-manganese-phosphorus-oxygen system, characterized by its metastable nature. Its electronic properties and structural framework make it a subject of interest for researchers investigating alternative cathode architectures for electrochemical energy storage. The material is notable for its distinct stoichiometry compared to standard olivine compositions, offering a different perspective on ion transport and stability within the phosphate class. Its existence as a metastable phase highlights the intricate energy landscape of transition metal phosphates, providing a valuable case study for understanding phase formation and stability in battery materials.
Key Properties
Cross-validated computational properties for LiMnPO5, 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 LiMnPO5, 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. |
|---|---|---|---|---|---|
| P21/c (No. 14) | monoclinic | 1.26 | 0.0259 | -7.502 | 3.38 |
| P-1 (No. 2) | triclinic | 1.30 | 0.0347 | -7.493 | 3.44 |
| Pnma (No. 62) | orthorhombic | 0.14 | 0.0353 | -7.492 | 3.46 |
| P-1 (No. 2) | triclinic | 0.21 | 0.0374 | -7.490 | 3.43 |
| P21/c (No. 14) | monoclinic | 0.00 | 0.0482 | -7.480 | 3.35 |
| Pnma (No. 62) | orthorhombic | 0.00 | 0.0745 | -7.453 | 3.16 |
| Pna21 (No. 33) | orthorhombic | 0.67 | 0.0798 | -7.448 | 2.92 |
| Pnma (No. 62) | Orthorhombic | — | — | — | 3.60 |
| P21/c (No. 14) | Monoclinic | — | — | — | 3.50 |
| Pnma (No. 62) | Orthorhombic | — | — | — | 3.76 |
| P-1 (No. 2) | Triclinic | — | — | — | 3.56 |
| P21/c (No. 14) | Monoclinic | — | — | — | 3.35 |
Applications
Where LiMnPO5 is used.
Frequently Asked Questions
Common questions about LiMnPO5, answered from cross-validated data.
What is LiMnPO5?
LiMnPO5 is a metastable, semiconducting phosphate compound studied for its potential role in advanced electrochemical energy storage systems.
What is LiMnPO5 used for?
What is the band gap of LiMnPO5?
Is LiMnPO5 a metal, semiconductor, or insulator?
Is LiMnPO5 thermodynamically stable?
What is the crystal structure of LiMnPO5?
What is the density of LiMnPO5?
How many polymorphs of LiMnPO5 are known?
What elements does LiMnPO5 contain?
Where does the data for LiMnPO5 come from?
How It Compares
Within the olivine phosphate cathodes class.
Within the broader class of olivine phosphate cathodes, LiMnPO5 occupies a distinct position compared to the widely utilized LiMnPO4. While LiMnPO4 is a well-established cathode material known for its specific electrochemical potential, LiMnPO5 represents a more exotic stoichiometry that deviates from the standard olivine structure found in compounds like LiFePO4 or LiCoPO4, placing it in a unique structural category alongside pyrophosphate variants like Li2MnP2O7.
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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