NaNiPO4
Sodium nickel phosphate
Sodium nickel phosphate is an inorganic crystalline material that has been investigated for its potential as a cathode component in rechargeable battery systems. Its structural properties allow for the reversible movement of ions, making it a subject of research for energy storage technologies.
Key Properties
Cross-validated computational properties for NaNiPO4, 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 NaNiPO4, 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. |
|---|---|---|---|---|---|
| Pnma (No. 62) | orthorhombic | 3.34 | 0.0000 | -6.924 | 3.40 |
| Pnma (No. 62) | orthorhombic | 3.71 | 0.0264 | -6.898 | 3.72 |
| Cmcm (No. 63) | orthorhombic | 0.96 | 0.0317 | -6.893 | 3.85 |
| Pnma (No. 62) | Orthorhombic | — | — | — | 3.72 |
| Pnma (No. 62) | Orthorhombic | — | — | — | 3.97 |
| Pnma (No. 62) | Orthorhombic | — | — | — | 3.81 |
| Cmcm (No. 63) | Orthorhombic | — | — | — | 3.85 |
| Pnma (No. 62) | Orthorhombic | — | — | — | 3.40 |
| Cmcm (No. 63) | Orthorhombic | — | — | — | 4.12 |
| Pnma (No. 62) | Orthorhombic | — | — | — | 3.63 |
| Cmcm (No. 63) | — | — | — | — | — |
| Cmcm (No. 63) | Orthorhombic | — | — | — | 3.95 |
Applications
Where NaNiPO4 is used.
Frequently Asked Questions
Common questions about NaNiPO4, answered from cross-validated data.
What is NaNiPO4?
Sodium nickel phosphate is an inorganic crystalline material that has been investigated for its potential as a cathode component in rechargeable battery systems. Its structural properties allow for the reversible movement of ions, making it a subject of research for energy storage technologies.
What is NaNiPO4 used for?
What is the band gap of NaNiPO4?
Is NaNiPO4 a metal, semiconductor, or insulator?
Is NaNiPO4 thermodynamically stable?
What is the crystal structure of NaNiPO4?
What is the density of NaNiPO4?
How many polymorphs of NaNiPO4 are known?
What elements does NaNiPO4 contain?
Where does the data for NaNiPO4 come from?
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.
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
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