Li2MnPCO7
Li2MnPCO7 is a semiconducting phosphate-based compound being studied for its potential use as a cathode material in energy storage devices.
About Li2MnPCO7
Li2MnPCO7 is a complex phosphate-based compound belonging to the olivine cathode material class. Characterized by its semiconducting electronic nature, this material is of significant interest for its potential role in next-generation electrochemical energy storage systems. Its structural configuration and chemical composition suggest a versatile framework for ion mobility.
As a near-hull material, Li2MnPCO7 is considered thermodynamically stable enough to be a viable target for experimental synthesis. The existence of multiple reported structures across various databases highlights its structural diversity and the ongoing interest in exploring its potential as a high-performance electrode material.
Key Properties
Cross-validated computational properties for Li2MnPCO7, 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 Li2MnPCO7, 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 | 0.78 | 0.0109 | -7.535 | 2.63 |
| P21/m (No. 11) | monoclinic | 1.01 | 0.0135 | -7.532 | 2.66 |
| P1 (No. 1) | triclinic | 1.84 | 0.0258 | -7.520 | 2.69 |
| P1 (No. 1) | triclinic | 0.40 | 0.0290 | -7.517 | 2.72 |
| P1 (No. 1) | triclinic | 0.51 | 0.0304 | -7.515 | 2.71 |
| Pc (No. 7) | monoclinic | 1.99 | 0.0328 | -7.513 | 2.70 |
| Pc (No. 7) | monoclinic | 0.00 | 0.0350 | -7.511 | 2.72 |
| P1 (No. 1) | — | — | — | — | — |
| P-1 (No. 2) | Triclinic | — | — | — | 2.63 |
| P1 (No. 1) | Triclinic | — | — | — | 2.72 |
| P-1 (No. 2) | Triclinic | — | — | — | 2.80 |
| P1 (No. 1) | Triclinic | — | — | — | 2.90 |
Applications
Where Li2MnPCO7 is used.
Frequently Asked Questions
Common questions about Li2MnPCO7, answered from cross-validated data.
What is Li2MnPCO7?
Li2MnPCO7 is a semiconducting phosphate-based compound being studied for its potential use as a cathode material in energy storage devices.
What is Li2MnPCO7 used for?
What is the band gap of Li2MnPCO7?
Is Li2MnPCO7 a metal, semiconductor, or insulator?
Is Li2MnPCO7 thermodynamically stable?
What is the crystal structure of Li2MnPCO7?
What is the density of Li2MnPCO7?
How many polymorphs of Li2MnPCO7 are known?
What elements does Li2MnPCO7 contain?
Where does the data for Li2MnPCO7 come from?
How It Compares
Within the olivine phosphate cathodes class.
Within the broader family of olivine phosphates, Li2MnPCO7 occupies a unique niche compared to well-established benchmarks like LiFePO4 and LiMnPO4. While traditional olivines are defined by their specific stoichiometry, the inclusion of carbon in the anionic framework distinguishes this compound from more conventional siblings such as Li2MnP2O7, potentially offering different electrochemical pathways and structural characteristics.
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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