NaLiMnPCO7
NaLiMnPCO7 is a thermodynamically stable, semiconducting transition-metal phosphate used in materials research for electrochemical applications.
About NaLiMnPCO7
NaLiMnPCO7 is a complex transition-metal phosphate that sits on the convex hull, indicating significant thermodynamic stability. As a semiconducting material, it represents a unique intersection of alkali metal ions and transition metal centers, offering a distinct framework for ionic transport and electronic behavior. Its structural complexity is highlighted by multiple reported configurations across various databases, making it a subject of interest for advanced materials research. This compound is primarily investigated for its potential utility in electrochemical systems where stable, multi-component frameworks are required to facilitate charge transfer and ion mobility. Its balanced composition allows for a robust lattice that maintains integrity during operation, positioning it as a candidate for specialized battery electrode research.
Key Properties
Cross-validated computational properties for NaLiMnPCO7, 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 NaLiMnPCO7, 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 | 0.88 | 0.0000 | -7.476 | 2.65 |
| P21 (No. 4) | — | — | — | — | — |
| P21 (No. 4) | Monoclinic | — | — | — | 2.65 |
| P21 (No. 4) | Monoclinic | — | — | — | 2.82 |
| P21 (No. 4) | Monoclinic | — | — | — | 2.71 |
| P21 (No. 4) | — | — | — | — | — |
Applications
Where NaLiMnPCO7 is used.
Frequently Asked Questions
Common questions about NaLiMnPCO7, answered from cross-validated data.
What is NaLiMnPCO7?
NaLiMnPCO7 is a thermodynamically stable, semiconducting transition-metal phosphate used in materials research for electrochemical applications.
What is NaLiMnPCO7 used for?
What is the band gap of NaLiMnPCO7?
Is NaLiMnPCO7 a metal, semiconductor, or insulator?
Is NaLiMnPCO7 thermodynamically stable?
What is the crystal structure of NaLiMnPCO7?
What is the density of NaLiMnPCO7?
How many polymorphs of NaLiMnPCO7 are known?
What elements does NaLiMnPCO7 contain?
Where does the data for NaLiMnPCO7 come from?
How It Compares
Within the transition-metal phosphates class.
Within the broader family of transition-metal phosphates, NaLiMnPCO7 occupies a distinct niche compared to well-known cathode materials like LiMnPO4 and LiFePO4. While its siblings are often characterized by simpler olivine structures, the inclusion of sodium alongside lithium and manganese in this complex phosphate framework introduces unique structural constraints and potential advantages in ion diffusion kinetics compared to the more traditional binary or ternary phosphates.
Related Compounds
Other Transition-Metal Phosphates 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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