NaLi2MnPCO7
NaLi2MnPCO7 is a complex, insulating transition-metal phosphate compound that is considered a promising candidate for synthesis in energy storage applications.
About NaLi2MnPCO7
NaLi2MnPCO7 is a complex transition-metal phosphate characterized by its insulating electronic nature. Its structural arrangement suggests it is a thermodynamically viable candidate for experimental synthesis and further characterization in materials science research. As a member of the phosphate family, this compound is investigated for its potential role in electrochemical systems. Its stability profile makes it an intriguing subject for those exploring new electrode materials that balance structural integrity with ionic mobility.
Key Properties
Cross-validated computational properties for NaLi2MnPCO7, aggregated across 2 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 NaLi2MnPCO7, 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 | 3.60 | 0.0243 | -7.301 | 2.72 |
| P-1 (No. 2) | triclinic | 3.86 | 0.0259 | -7.299 | 2.72 |
| P21 (No. 4) | monoclinic | 3.93 | 0.0330 | -7.292 | 2.75 |
| P1 (No. 1) | triclinic | 3.76 | 0.0411 | -7.284 | 2.74 |
| P1 (No. 1) | triclinic | 3.80 | 0.0424 | -7.282 | 2.79 |
| P1 (No. 1) | triclinic | 3.81 | 0.0427 | -7.282 | 2.78 |
| P1 (No. 1) | triclinic | 3.79 | 0.0448 | -7.280 | 2.80 |
| P1 (No. 1) | triclinic | 3.79 | 0.0465 | -7.278 | 2.79 |
| P1 (No. 1) | triclinic | 3.75 | 0.0476 | -7.277 | 2.80 |
| P1 (No. 1) | triclinic | 3.74 | 0.0506 | -7.274 | 2.80 |
| P1 (No. 1) | triclinic | 3.77 | 0.0510 | -7.274 | 2.80 |
| P1 (No. 1) | Triclinic | — | — | — | 2.80 |
Applications
Where NaLi2MnPCO7 is used.
Frequently Asked Questions
Common questions about NaLi2MnPCO7, answered from cross-validated data.
What is NaLi2MnPCO7?
NaLi2MnPCO7 is a complex, insulating transition-metal phosphate compound that is considered a promising candidate for synthesis in energy storage applications.
What is NaLi2MnPCO7 used for?
What is the band gap of NaLi2MnPCO7?
Is NaLi2MnPCO7 a metal, semiconductor, or insulator?
Is NaLi2MnPCO7 thermodynamically stable?
What is the crystal structure of NaLi2MnPCO7?
What is the density of NaLi2MnPCO7?
How many polymorphs of NaLi2MnPCO7 are known?
What elements does NaLi2MnPCO7 contain?
Where does the data for NaLi2MnPCO7 come from?
How It Compares
Within the transition-metal phosphates class.
Within the broader class of transition-metal phosphates, NaLi2MnPCO7 occupies a unique space compared to well-established battery materials like LiFePO4 or LiMnPO4. While those siblings are primarily recognized for their specific redox performance in lithium-ion systems, NaLi2MnPCO7 represents a more complex structural variation that incorporates sodium, potentially offering different pathways for ion diffusion and structural stability compared to the simpler olivine-type 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).
- mpaloe — Data from mpaloe.
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