NaCoPO4
NaCoPO4 is a stable, insulating transition-metal phosphate being researched for its role in next-generation electrochemical energy storage.
About NaCoPO4
NaCoPO4 is a transition-metal phosphate characterized by its robust thermodynamic stability, placing it securely on the convex hull of its phase space. As a wide-gap insulating material, it represents a significant subject of study within the broader family of phosphate-based inorganic compounds.
This material is of particular interest to researchers investigating new electrode architectures for energy storage systems. Its structural integrity and chemical composition make it a viable candidate for exploring ion-transport mechanisms in advanced battery technologies.
Key Properties
Cross-validated computational properties for NaCoPO4, aggregated across 4 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 NaCoPO4, 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/c (No. 14) | monoclinic | 3.21 | 0.0000 | -7.156 | 2.93 |
| P21/c (No. 14) | monoclinic | 2.32 | 0.0296 | -7.126 | 3.59 |
| Pnma (No. 62) | orthorhombic | 2.20 | 0.0338 | -7.122 | 3.75 |
| P65 (No. 170) | hexagonal | 3.07 | 0.0384 | -7.117 | 3.21 |
| Pnma (No. 62) | orthorhombic | 2.38 | 0.0747 | -7.081 | 3.63 |
| No. 0 | unknown | — | — | — | 0.76 |
| P21/c (No. 14) | Monoclinic | — | — | — | 2.93 |
| No. 0 | unknown | — | — | — | 0.55 |
| Pnma (No. 62) | Orthorhombic | — | — | — | 3.85 |
| Pnma (No. 62) | Orthorhombic | — | — | — | 4.01 |
| Pnma (No. 62) | — | — | — | — | — |
| Pnma (No. 62) | Orthorhombic | — | — | — | 3.72 |
Synthesis Routes
Literature-extracted synthesis procedures targeting NaCoPO4.
Applications
Where NaCoPO4 is used.
Frequently Asked Questions
Common questions about NaCoPO4, answered from cross-validated data.
What is NaCoPO4?
NaCoPO4 is a stable, insulating transition-metal phosphate being researched for its role in next-generation electrochemical energy storage.
What is NaCoPO4 used for?
What is the band gap of NaCoPO4?
Is NaCoPO4 a metal, semiconductor, or insulator?
Is NaCoPO4 thermodynamically stable?
What is the crystal structure of NaCoPO4?
What is the density of NaCoPO4?
How many polymorphs of NaCoPO4 are known?
How is NaCoPO4 synthesized?
What elements does NaCoPO4 contain?
Where does the data for NaCoPO4 come from?
How It Compares
Within the transition-metal phosphates class.
Within the diverse group of transition-metal phosphates, NaCoPO4 serves as a sodium-based counterpart to well-known lithium-ion battery materials like LiCoPO4 and LiFePO4. While its siblings are frequently utilized in established lithium-based systems, NaCoPO4 provides a critical platform for understanding how sodium-ion substitution influences the electronic and structural properties of these phosphate frameworks.
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).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
- mpaloe — Data from mpaloe.
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
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