LiMn2P2HO8
LiMn2P2HO8 is a metastable, insulating phosphate compound being studied for its potential utility in lithium-ion battery cathode applications.
About LiMn2P2HO8
LiMn2P2HO8 is a complex phosphate material belonging to the olivine phosphate cathode family. As a metastable compound, it represents a unique structural arrangement within the lithium-manganese-phosphorus-oxygen system, characterized by its wide-band-gap insulating electronic nature.
This material is of significant interest in materials science due to its structural diversity, with multiple reported configurations across various databases. Its role as a potential cathode candidate is driven by the ongoing search for stable, high-performance electrode architectures that can facilitate efficient ion transport.
Key Properties
Cross-validated computational properties for LiMn2P2HO8, 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 LiMn2P2HO8, 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 | 3.62 | 0.0370 | -7.722 | 3.08 |
| P-1 (No. 2) | triclinic | 3.80 | 0.0374 | -7.721 | 2.72 |
| P-1 (No. 2) | Triclinic | — | — | — | 2.72 |
| P-1 (No. 2) | Triclinic | — | — | — | 2.90 |
| P-1 (No. 2) | Triclinic | — | — | — | 2.78 |
| P21 (No. 4) | Monoclinic | — | — | — | 3.15 |
| P21 (No. 4) | — | — | — | — | — |
| P21 (No. 4) | Monoclinic | — | — | — | 3.08 |
| P21 (No. 4) | Monoclinic | — | — | — | 3.29 |
| P-1 (No. 2) | — | — | — | — | — |
Applications
Where LiMn2P2HO8 is used.
Frequently Asked Questions
Common questions about LiMn2P2HO8, answered from cross-validated data.
What is LiMn2P2HO8?
LiMn2P2HO8 is a metastable, insulating phosphate compound being studied for its potential utility in lithium-ion battery cathode applications.
What is LiMn2P2HO8 used for?
What is the band gap of LiMn2P2HO8?
Is LiMn2P2HO8 a metal, semiconductor, or insulator?
Is LiMn2P2HO8 thermodynamically stable?
What is the crystal structure of LiMn2P2HO8?
What is the density of LiMn2P2HO8?
How many polymorphs of LiMn2P2HO8 are known?
What elements does LiMn2P2HO8 contain?
Where does the data for LiMn2P2HO8 come from?
How It Compares
Within the olivine phosphate cathodes class.
While LiMn2P2HO8 shares the fundamental phosphate framework found in well-known cathode materials like LiFePO4 and LiMnPO4, it occupies a distinct structural niche. Unlike the highly stable and widely commercialized olivines, this compound exhibits metastable characteristics that differentiate its synthesis and phase behavior from the more conventional Li2MnP2O7 or LiCoPO4 structures.
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).
Analyze LiMn2P2HO8 in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 53 integrated data sources.
Explore the Platform →