NaNiO2
Sodium nickelate · Sodium nickel oxide
Sodium nickelate is an inorganic compound that serves as a key material in the study of battery technologies. It is primarily investigated as a cathode material for sodium-ion batteries due to its layered structure which facilitates the movement of ions during electrochemical cycling.
Key Properties
Cross-validated computational properties for Sodium nickelate, 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 NaNiO2, 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. |
|---|---|---|---|---|---|
| C2/m (No. 12) | monoclinic | 0.42 | 0.0000 | -5.588 | 4.85 |
| Pc (No. 7) | monoclinic | 0.00 | 0.0000 | -5.796 | 4.33 |
| P1 (No. 1) | triclinic | 0.00 | 0.0018 | -5.795 | 4.34 |
| P2/c (No. 13) | monoclinic | 0.00 | 0.0051 | -5.791 | 4.17 |
| P21/c (No. 14) | monoclinic | 0.00 | 0.0077 | -5.580 | 4.85 |
| P21/m (No. 11) | monoclinic | 0.69 | 0.0128 | -5.575 | 4.60 |
| Cmcm (No. 63) | orthorhombic | 0.57 | 0.0143 | -5.573 | 4.82 |
| P-1 (No. 2) | triclinic | 0.12 | 0.0180 | -5.570 | 4.83 |
| R-3m (No. 166) | trigonal | 0.00 | 0.0191 | -5.568 | 4.86 |
| C2/c (No. 15) | monoclinic | 0.00 | 0.0217 | -5.566 | 4.56 |
| P63/mmc (No. 194) | hexagonal | 0.00 | 0.0282 | -5.559 | 4.54 |
| Pnma (No. 62) | orthorhombic | 0.00 | 0.0370 | -5.759 | 4.83 |
Applications
Where Sodium nickelate is used.
Frequently Asked Questions
Common questions about Sodium nickelate, answered from cross-validated data.
What is NaNiO2?
Sodium nickelate is an inorganic compound that serves as a key material in the study of battery technologies. It is primarily investigated as a cathode material for sodium-ion batteries due to its layered structure which facilitates the movement of ions during electrochemical cycling.
What is NaNiO2 used for?
What is the band gap of NaNiO2?
Is NaNiO2 a metal, semiconductor, or insulator?
Is NaNiO2 thermodynamically stable?
What is the crystal structure of NaNiO2?
What is the density of NaNiO2?
How many polymorphs of NaNiO2 are known?
What elements does NaNiO2 contain?
Where does the data for NaNiO2 come from?
Related Compounds
Other Layered Sodium Transition-Metal Oxides in the database.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
- mpaloe — Data from mpaloe.
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