Na3NiO2
This compound is a sodium nickel oxide material typically studied for its structural and electrochemical properties. It is primarily utilized in academic research as a precursor or model system for investigating advanced battery electrode materials and solid-state ion conductors.
Key Properties
Cross-validated computational properties for Na3NiO2, 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 Na3NiO2, 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 | 0.41 | 0.0070 | -5.743 | 4.20 |
| Cmcm (No. 63) | orthorhombic | 0.84 | 0.0732 | -5.211 | 3.37 |
| P42/mnm (No. 136) | tetragonal | 1.56 | 0.0792 | -4.477 | 2.56 |
| P21/c (No. 14) | monoclinic | 1.72 | 0.0954 | -4.460 | 2.85 |
| Pnma (No. 62) | orthorhombic | 0.00 | 0.0977 | -5.186 | 3.31 |
| Pnma (No. 62) | orthorhombic | 1.45 | 0.1011 | -4.455 | 2.80 |
| P41212 (No. 92) | tetragonal | 1.71 | 0.1027 | -4.453 | 2.84 |
| Ibam (No. 72) | orthorhombic | 0.20 | 0.1324 | -4.423 | 3.12 |
| P41212 (No. 92) | Tetragonal | — | — | — | 2.96 |
| P21/c (No. 14) | Monoclinic | — | — | — | 2.93 |
| P21/c (No. 14) | — | — | — | — | — |
| Pnma (No. 62) | Orthorhombic | — | — | — | 2.92 |
Applications
Where Na3NiO2 is used.
Frequently Asked Questions
Common questions about Na3NiO2, answered from cross-validated data.
What is Na3NiO2?
This compound is a sodium nickel oxide material typically studied for its structural and electrochemical properties. It is primarily utilized in academic research as a precursor or model system for investigating advanced battery electrode materials and solid-state ion conductors.
What is Na3NiO2 used for?
What is the band gap of Na3NiO2?
Is Na3NiO2 a metal, semiconductor, or insulator?
Is Na3NiO2 thermodynamically stable?
What is the crystal structure of Na3NiO2?
What is the density of Na3NiO2?
How many polymorphs of Na3NiO2 are known?
What elements does Na3NiO2 contain?
Where does the data for Na3NiO2 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).
- mpaloe — Data from mpaloe.
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
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