LiMnPH2O5
LiMnPH2O5 is an insulating, near-hull stable phosphate compound being studied as a potential cathode material for lithium-ion battery systems.
About LiMnPH2O5
LiMnPH2O5 is a complex phosphate-based material categorized within the olivine phosphate cathode class. Characterized as a wide-band-gap insulator, it exhibits structural properties that suggest it is a viable candidate for electrochemical energy storage applications.
Its status as a near-hull stable compound indicates that it is likely synthesizable under appropriate laboratory conditions. As researchers continue to explore diverse chemistries for lithium-ion batteries, this material serves as an intriguing subject for investigating the influence of hydrogen incorporation on the olivine framework.
Key Properties
Cross-validated computational properties for LiMnPH2O5, 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 LiMnPH2O5, 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 | 3.72 | 0.0214 | -7.008 | 2.55 |
| Pna21 (No. 33) | orthorhombic | 3.54 | 0.0352 | -6.994 | 2.43 |
| Pca21 (No. 29) | orthorhombic | 3.63 | 0.0397 | -6.989 | 2.58 |
| P1 (No. 1) | triclinic | 3.51 | 0.0437 | -6.985 | 2.84 |
| Pna21 (No. 33) | orthorhombic | 3.12 | 0.0685 | -6.961 | 2.45 |
| Pmn21 (No. 31) | orthorhombic | 3.32 | 0.0862 | -6.943 | 2.53 |
| Pmn21 (No. 31) | orthorhombic | 3.31 | 0.0891 | -6.940 | 2.56 |
| Pmn21 (No. 31) | — | — | — | — | — |
| Pmn21 (No. 31) | — | — | — | — | — |
| Pmn21 (No. 31) | Orthorhombic | — | — | — | 2.58 |
| Pmn21 (No. 31) | Orthorhombic | — | — | — | 2.53 |
| Pmn21 (No. 31) | Orthorhombic | — | — | — | 2.66 |
Applications
Where LiMnPH2O5 is used.
Frequently Asked Questions
Common questions about LiMnPH2O5, answered from cross-validated data.
What is LiMnPH2O5?
LiMnPH2O5 is an insulating, near-hull stable phosphate compound being studied as a potential cathode material for lithium-ion battery systems.
What is LiMnPH2O5 used for?
What is the band gap of LiMnPH2O5?
Is LiMnPH2O5 a metal, semiconductor, or insulator?
Is LiMnPH2O5 thermodynamically stable?
What is the crystal structure of LiMnPH2O5?
What is the density of LiMnPH2O5?
How many polymorphs of LiMnPH2O5 are known?
What elements does LiMnPH2O5 contain?
Where does the data for LiMnPH2O5 come from?
How It Compares
Within the olivine phosphate cathodes class.
Within the diverse family of olivine-type and related phosphate cathodes, LiMnPH2O5 occupies a unique niche compared to more conventional members like LiMnPO4 or LiFePO4. While its siblings are widely recognized for their role in commercial battery technologies, this specific compound introduces hydrogen into the anionic framework, distinguishing it from the standard phosphate structures and offering a distinct structural pathway for ion mobility.
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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