LiMnP2HO7
LiMnP2HO7 is a metastable, insulating phosphate material researched as a potential cathode candidate for advanced lithium-ion battery technologies.
About LiMnP2HO7
LiMnP2HO7 is a complex phosphate-based material categorized within the broader family of olivine-structured cathode compounds. As a wide-band-gap insulator, it exhibits distinct electronic characteristics that differentiate it from more conductive metallic oxides, necessitating careful structural engineering for potential electrochemical utility. Its metastable nature suggests a unique synthetic pathway, making it a subject of interest for researchers investigating structural diversity in lithium-ion battery components. The material is primarily studied for its potential in high-voltage or high-capacity energy storage applications where phosphate frameworks provide structural robustness. Its inclusion in the olivine phosphate class highlights its relevance to the ongoing search for stable, high-performance electrode materials capable of facilitating efficient lithium-ion transport.
Key Properties
Cross-validated computational properties for LiMnP2HO7, 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 LiMnP2HO7, 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 | 4.07 | 0.0271 | -7.447 | 2.93 |
| P21/c (No. 14) | monoclinic | 4.30 | 0.0367 | -7.437 | 2.87 |
| P-1 (No. 2) | triclinic | 4.75 | 0.0437 | -7.430 | 2.81 |
| P-1 (No. 2) | triclinic | 4.23 | 0.0453 | -7.428 | 2.85 |
| P-1 (No. 2) | triclinic | 4.17 | 0.0673 | -7.406 | 3.03 |
| P-1 (No. 2) | — | — | — | — | — |
| P-1 (No. 2) | Triclinic | — | — | — | 2.81 |
| P-1 (No. 2) | Triclinic | — | — | — | 3.00 |
| P-1 (No. 2) | Triclinic | — | — | — | 2.87 |
| P-1 (No. 2) | — | — | — | — | — |
| P-1 (No. 2) | — | — | — | — | — |
Applications
Where LiMnP2HO7 is used.
Frequently Asked Questions
Common questions about LiMnP2HO7, answered from cross-validated data.
What is LiMnP2HO7?
LiMnP2HO7 is a metastable, insulating phosphate material researched as a potential cathode candidate for advanced lithium-ion battery technologies.
What is LiMnP2HO7 used for?
What is the band gap of LiMnP2HO7?
Is LiMnP2HO7 a metal, semiconductor, or insulator?
Is LiMnP2HO7 thermodynamically stable?
What is the crystal structure of LiMnP2HO7?
What is the density of LiMnP2HO7?
How many polymorphs of LiMnP2HO7 are known?
What elements does LiMnP2HO7 contain?
Where does the data for LiMnP2HO7 come from?
How It Compares
Within the olivine phosphate cathodes class.
Within the diverse landscape of olivine-related phosphates, LiMnP2HO7 occupies a specialized niche compared to well-established benchmarks like LiFePO4 or LiMnPO4. While members such as LiFePO4 are celebrated for their exceptional thermodynamic stability and commercial viability, LiMnP2HO7 represents a more complex, metastable variation that pushes the boundaries of traditional phosphate chemistry. Its structural arrangement differs from simpler analogs like Li2MnP2O7, offering a unique perspective on how hydrogen incorporation and phosphorus-oxygen polyhedra influence the electrochemical landscape of manganese-based cathodes.
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).
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
- mpaloe — Data from mpaloe.
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