Na4NiO4
Na4NiO4 is a metastable, semiconducting layered oxide containing sodium, nickel, and oxygen that is studied for its potential in electrochemical energy storage.
About Na4NiO4
Na4NiO4 belongs to the class of layered sodium transition-metal oxides, characterized by its semiconducting electronic structure. As a metastable phase, it represents a complex arrangement of sodium, nickel, and oxygen atoms that offers unique insights into the structural diversity of transition-metal oxides.
This material is of significant interest in materials science due to its specific chemical composition and structural configuration. It is primarily studied for its potential roles in electrochemical applications, where the interplay between its layered architecture and electronic properties can be leveraged for advanced device performance.
Key Properties
Cross-validated computational properties for Na4NiO4, 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 Na4NiO4, 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 | 0.79 | 0.0391 | -4.770 | 2.86 |
| P1 (No. 1) | triclinic | 0.01 | 0.0987 | -4.710 | 2.67 |
| Pc (No. 7) | monoclinic | 0.00 | 0.1084 | -4.700 | 2.66 |
| P-1 (No. 2) | Triclinic | — | — | — | 2.86 |
| P-1 (No. 2) | Triclinic | — | — | — | 2.95 |
| P-1 (No. 2) | Triclinic | — | — | — | 2.94 |
| P-1 (No. 2) | — | — | — | — | — |
Applications
Where Na4NiO4 is used.
Frequently Asked Questions
Common questions about Na4NiO4, answered from cross-validated data.
What is Na4NiO4?
Na4NiO4 is a metastable, semiconducting layered oxide containing sodium, nickel, and oxygen that is studied for its potential in electrochemical energy storage.
What is Na4NiO4 used for?
What is the band gap of Na4NiO4?
Is Na4NiO4 a metal, semiconductor, or insulator?
Is Na4NiO4 thermodynamically stable?
What is the crystal structure of Na4NiO4?
What is the density of Na4NiO4?
How many polymorphs of Na4NiO4 are known?
What elements does Na4NiO4 contain?
Where does the data for Na4NiO4 come from?
How It Compares
Within the layered sodium transition-metal oxides class.
Within the diverse family of layered sodium transition-metal oxides, Na4NiO4 is distinguished by its metastable nature compared to more common, stable counterparts like NaNiO2 or NaCoO2. While many members of this class serve as standard cathode materials, Na4NiO4 represents a more specialized structural variant that provides researchers with a broader understanding of how transition-metal oxidation states and sodium coordination influence the stability of the layered framework.
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).
- mpaloe — Data from mpaloe.
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
Analyze Na4NiO4 in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 53 integrated data sources.
Explore the Platform →