Li2MnPHO5
Li2MnPHO5 is a metastable, insulating lithium manganese phosphate compound studied for its potential applications in next-generation battery cathode technology.
About Li2MnPHO5
Li2MnPHO5 is a complex phosphate material belonging to the olivine-related cathode family. As a wide-band-gap insulator, it represents a specialized structural variation within the broader class of lithium-containing transition metal phosphates, characterized by its metastable nature. Its structural complexity and unique stoichiometry make it a subject of significant interest for researchers investigating new pathways for energy storage. By incorporating manganese into the phosphate framework, this compound serves as a critical model for understanding phase stability and electrochemical potential in non-traditional cathode architectures.
Key Properties
Cross-validated computational properties for Li2MnPHO5, 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 Li2MnPHO5, 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. |
|---|---|---|---|---|---|
| P1 (No. 1) | triclinic | 3.40 | 0.0604 | -7.011 | 2.93 |
| P21/c (No. 14) | monoclinic | 3.06 | 0.0625 | -7.009 | 2.74 |
| P-1 (No. 2) | triclinic | 3.46 | 0.0627 | -7.009 | 2.89 |
| P-1 (No. 2) | — | — | — | — | — |
| P-1 (No. 2) | Triclinic | — | — | — | 2.89 |
| P-1 (No. 2) | Triclinic | — | — | — | 3.06 |
| P-1 (No. 2) | Triclinic | — | — | — | 2.95 |
Applications
Where Li2MnPHO5 is used.
Frequently Asked Questions
Common questions about Li2MnPHO5, answered from cross-validated data.
What is Li2MnPHO5?
Li2MnPHO5 is a metastable, insulating lithium manganese phosphate compound studied for its potential applications in next-generation battery cathode technology.
What is Li2MnPHO5 used for?
What is the band gap of Li2MnPHO5?
Is Li2MnPHO5 a metal, semiconductor, or insulator?
Is Li2MnPHO5 thermodynamically stable?
What is the crystal structure of Li2MnPHO5?
What is the density of Li2MnPHO5?
How many polymorphs of Li2MnPHO5 are known?
What elements does Li2MnPHO5 contain?
Where does the data for Li2MnPHO5 come from?
How It Compares
Within the olivine phosphate cathodes class.
While Li2MnPHO5 shares the phosphate backbone common to well-established cathodes like LiFePO4 and LiMnPO4, it occupies a distinct structural niche due to its specific hydrogen-containing composition. Unlike the standard olivine structures found in LiMnPO4 or LiCoPO4, this compound exhibits a more intricate arrangement that differentiates its thermodynamic profile from the more common, highly stable battery materials in the class.
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.
Analyze Li2MnPHO5 in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 53 integrated data sources.
Explore the Platform →