LiMnP3HO10
LiMnP3HO10 is a metastable, semiconducting phosphate material investigated for its potential role in advanced electrochemical energy storage systems.
About LiMnP3HO10
LiMnP3HO10 is a complex phosphate-based material categorized within the olivine-related family of cathode candidates. As a semiconducting compound, it exhibits unique electronic behavior that distinguishes it from more traditional transition metal phosphate structures. Its metastable nature makes it a subject of significant interest for researchers investigating structural diversity in energy storage materials. The compound is primarily studied for its potential in advanced electrochemical systems where specific structural frameworks are required to facilitate ion transport. Its presence in multiple structural databases highlights its importance as a model system for understanding complex polyanionic frameworks in battery chemistry.
Key Properties
Cross-validated computational properties for LiMnP3HO10, 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 LiMnP3HO10, 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. |
|---|---|---|---|---|---|
| Pca21 (No. 29) | orthorhombic | 1.67 | 0.0332 | -7.440 | 2.29 |
| P2/c (No. 13) | monoclinic | 1.27 | 0.0494 | -7.424 | 2.63 |
| P1 (No. 1) | triclinic | 1.85 | 0.0664 | -7.407 | 2.26 |
| C2/c (No. 15) | monoclinic | 0.87 | 0.0783 | -7.395 | 2.40 |
| C2 (No. 5) | monoclinic | 1.06 | 0.0944 | -7.379 | 2.26 |
| P2/c (No. 13) | Monoclinic | — | — | — | 2.69 |
| C2 (No. 5) | — | — | — | — | — |
| C2/c (No. 15) | Monoclinic | — | — | — | 2.45 |
| C2/c (No. 15) | Monoclinic | — | — | — | 2.56 |
| C2/c (No. 15) | Monoclinic | — | — | — | 2.40 |
| C2 (No. 5) | — | — | — | — | — |
| P2/c (No. 13) | Monoclinic | — | — | — | 2.80 |
Applications
Where LiMnP3HO10 is used.
Frequently Asked Questions
Common questions about LiMnP3HO10, answered from cross-validated data.
What is LiMnP3HO10?
LiMnP3HO10 is a metastable, semiconducting phosphate material investigated for its potential role in advanced electrochemical energy storage systems.
What is LiMnP3HO10 used for?
What is the band gap of LiMnP3HO10?
Is LiMnP3HO10 a metal, semiconductor, or insulator?
Is LiMnP3HO10 thermodynamically stable?
What is the crystal structure of LiMnP3HO10?
What is the density of LiMnP3HO10?
How many polymorphs of LiMnP3HO10 are known?
What elements does LiMnP3HO10 contain?
Where does the data for LiMnP3HO10 come from?
How It Compares
Within the olivine phosphate cathodes class.
Within the broader class of olivine and pyrophosphate cathodes, LiMnP3HO10 occupies a distinct niche compared to well-established members like LiFePO4 or LiMnPO4. While LiFePO4 is celebrated for its exceptional stability and commercial viability, LiMnP3HO10 represents a more complex, metastable structural arrangement that deviates from the standard olivine stoichiometry, offering a different approach to balancing electronic and ionic conductivity in cathode design.
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.
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
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