Na2MnPCO7
Na2MnPCO7 is a stable semiconducting transition-metal phosphate used in materials science research for energy storage applications.
About Na2MnPCO7
Na2MnPCO7 is a complex transition-metal phosphate that exists as a thermodynamically stable phase on the convex hull. Its semiconducting electronic character makes it an intriguing candidate for advanced electrochemical research, particularly where structural integrity is paramount for ion transport.
This material is part of a diverse family of phosphate-based compounds that are widely investigated for their role in battery technologies. Its stability profile suggests it can withstand the rigorous conditions often required in solid-state energy storage systems.
Key Properties
Cross-validated computational properties for Na2MnPCO7, 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 Na2MnPCO7, 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/m (No. 11) | monoclinic | 0.63 | 0.0000 | -7.405 | 2.72 |
| P1 (No. 1) | triclinic | 0.69 | 0.0090 | -7.396 | 2.74 |
| P1 (No. 1) | triclinic | 0.81 | 0.0090 | -7.396 | 2.70 |
| P1 (No. 1) | triclinic | 2.65 | 0.0092 | -7.396 | 2.70 |
| P1 (No. 1) | triclinic | 2.58 | 0.0093 | -7.396 | 2.71 |
| P1 (No. 1) | triclinic | 0.69 | 0.0103 | -7.395 | 2.72 |
| P1 (No. 1) | triclinic | 0.51 | 0.0105 | -7.395 | 2.73 |
| P1 (No. 1) | triclinic | 2.22 | 0.0107 | -7.395 | 2.69 |
| P1 (No. 1) | triclinic | 0.56 | 0.0109 | -7.394 | 2.73 |
| P1 (No. 1) | triclinic | 0.63 | 0.0111 | -7.394 | 2.70 |
| P1 (No. 1) | triclinic | 0.63 | 0.0111 | -7.394 | 2.71 |
| P1 (No. 1) | triclinic | 0.56 | 0.0113 | -7.394 | 2.72 |
Applications
Where Na2MnPCO7 is used.
Frequently Asked Questions
Common questions about Na2MnPCO7, answered from cross-validated data.
What is Na2MnPCO7?
Na2MnPCO7 is a stable semiconducting transition-metal phosphate used in materials science research for energy storage applications.
What is Na2MnPCO7 used for?
What is the band gap of Na2MnPCO7?
Is Na2MnPCO7 a metal, semiconductor, or insulator?
Is Na2MnPCO7 thermodynamically stable?
What is the crystal structure of Na2MnPCO7?
What is the density of Na2MnPCO7?
How many polymorphs of Na2MnPCO7 are known?
What elements does Na2MnPCO7 contain?
Where does the data for Na2MnPCO7 come from?
How It Compares
Within the transition-metal phosphates class.
Within the broader class of transition-metal phosphates, Na2MnPCO7 occupies a unique niche compared to well-known battery cathode materials like LiFePO4 and LiMnPO4. While its siblings are primarily studied for their lithium-intercalation properties, the sodium-based chemistry of this compound offers a distinct alternative for sodium-ion battery research, balancing stability with the structural versatility seen in other phosphates like TiP2O7.
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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