Li2MnP2HO8
Li2MnP2HO8 is a semiconducting phosphate-based material being investigated as a potential cathode for lithium-ion battery technology.
About Li2MnP2HO8
Li2MnP2HO8 belongs to the olivine phosphate family, a class of materials widely recognized for their potential in high-performance battery cathodes. As a semiconducting compound, it facilitates the necessary charge transport for electrochemical cycling while maintaining a structural framework conducive to ion mobility. Its thermodynamic proximity to the stability hull suggests that this material is a viable target for experimental synthesis and further characterization in energy storage applications. The presence of hydrogen within the phosphate lattice adds a unique structural dimension compared to traditional anhydrous olivines, potentially influencing its electrochemical behavior and ion diffusion pathways. This compound represents an intriguing entry in the search for stable, high-capacity cathode materials that can withstand the rigors of repeated charge and discharge cycles.
Key Properties
Cross-validated computational properties for Li2MnP2HO8, 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 Li2MnP2HO8, 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 (No. 4) | monoclinic | 1.20 | 0.0055 | -7.234 | 2.94 |
| P21 (No. 4) | — | — | — | — | — |
| P21 (No. 4) | Monoclinic | — | — | — | 3.12 |
| P21 (No. 4) | Monoclinic | — | — | — | 2.94 |
| P21 (No. 4) | Monoclinic | — | — | — | 3.02 |
| P21 (No. 4) | — | — | — | — | — |
Applications
Where Li2MnP2HO8 is used.
Frequently Asked Questions
Common questions about Li2MnP2HO8, answered from cross-validated data.
What is Li2MnP2HO8?
Li2MnP2HO8 is a semiconducting phosphate-based material being investigated as a potential cathode for lithium-ion battery technology.
What is Li2MnP2HO8 used for?
What is the band gap of Li2MnP2HO8?
Is Li2MnP2HO8 a metal, semiconductor, or insulator?
Is Li2MnP2HO8 thermodynamically stable?
What is the crystal structure of Li2MnP2HO8?
What is the density of Li2MnP2HO8?
How many polymorphs of Li2MnP2HO8 are known?
What elements does Li2MnP2HO8 contain?
Where does the data for Li2MnP2HO8 come from?
How It Compares
Within the olivine phosphate cathodes class.
Within the diverse group of olivine and pyrophosphate-based materials, Li2MnP2HO8 occupies a distinct niche compared to the highly established LiFePO4 or LiMnPO4. While the latter are widely utilized benchmarks for cathode stability and capacity, Li2MnP2HO8 offers a different structural composition that may provide unique advantages in terms of voltage tuning or structural integrity during lithiation, distinguishing it from simpler binary-metal phosphates 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).
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
- mpaloe — Data from mpaloe.
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