NaMnPCO7
NaMnPCO7 is a semiconducting transition-metal phosphate that is considered a promising candidate for synthesis due to its favorable thermodynamic stability.
About NaMnPCO7
NaMnPCO7 is a complex transition-metal phosphate characterized by its semiconducting electronic nature. Its structural composition suggests a potential for utility in electrochemical systems where ion mobility and framework stability are critical requirements.
As a near-hull stable material, it occupies a favorable position in the thermodynamic landscape, indicating that it is a viable candidate for experimental synthesis. Its presence within the broader family of phosphate-based materials highlights its role in the ongoing search for functional inorganic frameworks.
Key Properties
Cross-validated computational properties for NaMnPCO7, 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 NaMnPCO7, 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 | 1.31 | 0.0020 | -7.615 | 2.57 |
| P21/c (No. 14) | monoclinic | 1.32 | 0.0068 | -7.610 | 2.58 |
| P1 (No. 1) | triclinic | 1.33 | 0.0068 | -7.610 | 2.57 |
| P21/c (No. 14) | monoclinic | 1.09 | 0.0086 | -7.608 | 2.57 |
| P21/c (No. 14) | monoclinic | 1.04 | 0.0094 | -7.608 | 2.57 |
| P1 (No. 1) | triclinic | 0.95 | 0.0104 | -7.607 | 2.58 |
| P21/c (No. 14) | monoclinic | 1.05 | 0.0105 | -7.607 | 2.61 |
| P21/c (No. 14) | monoclinic | 1.05 | 0.0106 | -7.606 | 2.76 |
| P21 (No. 4) | monoclinic | 1.00 | 0.0106 | -7.606 | 2.60 |
| P1 (No. 1) | triclinic | 1.01 | 0.0113 | -7.606 | 2.60 |
| P1 (No. 1) | triclinic | 0.11 | 0.0113 | -7.606 | 2.60 |
| P21/c (No. 14) | monoclinic | 1.08 | 0.0116 | -7.605 | 2.62 |
Applications
Where NaMnPCO7 is used.
Frequently Asked Questions
Common questions about NaMnPCO7, answered from cross-validated data.
What is NaMnPCO7?
NaMnPCO7 is a semiconducting transition-metal phosphate that is considered a promising candidate for synthesis due to its favorable thermodynamic stability.
What is NaMnPCO7 used for?
What is the band gap of NaMnPCO7?
Is NaMnPCO7 a metal, semiconductor, or insulator?
Is NaMnPCO7 thermodynamically stable?
What is the crystal structure of NaMnPCO7?
What is the density of NaMnPCO7?
How many polymorphs of NaMnPCO7 are known?
What elements does NaMnPCO7 contain?
Where does the data for NaMnPCO7 come from?
How It Compares
Within the transition-metal phosphates class.
Within the diverse class of transition-metal phosphates, NaMnPCO7 represents a unique sodium-based variant compared to the more extensively studied lithium-containing counterparts like LiMnPO4 and LiFePO4. While its siblings are often utilized in established battery technologies, this compound offers a distinct structural motif that differentiates it from the pyrophosphate-heavy members of the group, such as LiFeP2O7.
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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