Ni
Nickel · Ni
Nickel is a stable, metallic chemical element widely used as a primary component in alloys and protective coatings due to its durability and conductivity.
About Nickel
Nickel is a fundamental metallic element recognized for its exceptional thermodynamic stability and robust structural integrity. As a pure metal, it serves as a critical building block in materials science, valued for its ability to form stable phases across a wide range of conditions. Its metallic character ensures high electrical and thermal conductivity, making it a cornerstone of modern engineering. With extensive structural data available, it remains one of the most thoroughly characterized elements in the periodic table. Its inherent stability and predictable behavior under various environmental stresses make it an indispensable component in the development of high-performance alloys and protective coatings. By providing a reliable foundation for complex material systems, nickel continues to be a primary focus for researchers aiming to enhance durability and corrosion resistance in demanding applications.
Key Properties
Cross-validated computational properties for Nickel, aggregated across 6 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.
Cross-Source DFT Agreement
How well independent DFT databases agree on the thermodynamics of Ni. Tight agreement means computed properties can be trusted without re-running calculations.
Agreement ScoreA normalized confidence score summarizing how closely independent DFT databases agree. Higher scores mean tighter cross-source agreement.
Hull SpreadDifference between the highest and lowest energy-above-hull values reported by comparable sources. Smaller spread means less thermodynamic disagreement.
Sources ComparedNumber and names of computational sources with comparable entries for this formula.
Space Group ConsensusWhether independent sources predict the same crystal symmetry for the lowest-energy structure.
Reported Structures
Lowest-energy structures reported for Ni, 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. |
|---|---|---|---|---|---|
| Fm-3m (No. 225) | cubic | 0.00 | 0.0000 | 0.000 | — |
| P63/mmc (No. 194) | hexagonal | 0.00 | 0.0000 | 0.024 | — |
| Fm-3m (No. 225) | cubic | 0.00 | 0.0000 | 0.000 | — |
| Fm-3m (No. 225) | cubic | 0.00 | 0.0000 | -11.982 | 9.29 |
| Fm-3m (No. 225) | cubic | 0.00 | 0.0000 | 0.000 | — |
| Im-3m (No. 229) | cubic | 0.00 | 0.0000 | 0.096 | — |
| P63/mmc (No. 194) | hexagonal | 0.00 | 0.0000 | 0.024 | — |
| — | — | 0.00 | 0.0029 | 0.002 | — |
| — | — | 0.00 | 0.0052 | 0.004 | — |
| — | — | 0.00 | 0.0112 | 0.010 | — |
| — | — | 0.00 | 0.0156 | 0.014 | — |
| — | — | 0.00 | 0.0237 | 0.023 | — |
Synthesis Routes
Literature-extracted synthesis procedures targeting Ni.
Applications
Where Nickel is used.
Frequently Asked Questions
Common questions about Nickel, answered from cross-validated data.
What is Ni?
Nickel is a stable, metallic chemical element widely used as a primary component in alloys and protective coatings due to its durability and conductivity.
What is Ni used for?
What is the band gap of Ni?
Is Ni a metal, semiconductor, or insulator?
Is Ni thermodynamically stable?
What is the crystal structure of Ni?
How many polymorphs of Ni are known?
How is Ni synthesized?
What elements does Ni contain?
Where does the data for Ni come from?
How It Compares
As a pure elemental metal, nickel stands as a foundational material that defines the standard for metallic behavior and stability within the broader landscape of elemental solids.
Data sources & attribution
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
- oqmd — Data from the OQMD (oqmd.org). Cite: Saal et al., JOM 65, 1501 (2013); Kirklin et al., npj Comp. Mater. 1, 15010 (2015). (CC-BY-4.0)
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