CuNi
CuNi is a metastable metallic alloy consisting of copper and nickel that is frequently studied in materials science for its structural and electronic properties.
About CuNi
CuNi is a metallic binary alloy composed of copper and nickel. As a metastable system, it exhibits complex structural behavior that has been extensively cataloged across multiple materials databases, reflecting its significant interest in solid-state research.
This material is primarily studied for its electronic properties and the way its constituent elements interact at the atomic scale. Its metallic nature makes it a subject of investigation for understanding phase stability and alloy formation in transition metal systems.
Key Properties
Cross-validated computational properties for CuNi, aggregated across 5 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 CuNi. 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 CuNi, 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. |
|---|---|---|---|---|---|
| R-3m (No. 166) | trigonal | 0.00 | 0.0116 | 0.007 | — |
| — | — | 0.00 | 0.0118 | 0.011 | — |
| P-6m2 (No. 187) | hexagonal | 0.00 | 0.0123 | 0.008 | — |
| — | — | 0.00 | 0.0277 | 0.027 | — |
| R-3m (No. 166) | trigonal | 0.00 | 0.0414 | -11.373 | 9.38 |
| — | — | 0.00 | 0.0542 | 0.053 | — |
| P-6m2 (No. 187) | hexagonal | 0.00 | 0.0597 | -11.355 | 9.36 |
| — | — | 0.00 | 0.0806 | 0.080 | — |
| Cmmm (No. 65) | orthorhombic | 0.00 | 0.0931 | -11.321 | 9.26 |
| — | — | 0.00 | 0.0991 | 0.098 | — |
| — | — | 0.00 | 0.5938 | 0.593 | — |
| — | — | 0.00 | 0.6525 | 0.652 | — |
Synthesis Routes
Literature-extracted synthesis procedures targeting CuNi.
Applications
Where CuNi is used.
Frequently Asked Questions
Common questions about CuNi, answered from cross-validated data.
What is CuNi?
CuNi is a metastable metallic alloy consisting of copper and nickel that is frequently studied in materials science for its structural and electronic properties.
What is CuNi used for?
What is the band gap of CuNi?
Is CuNi a metal, semiconductor, or insulator?
Is CuNi thermodynamically stable?
What is the crystal structure of CuNi?
What is the density of CuNi?
How many polymorphs of CuNi are known?
How is CuNi synthesized?
What elements does CuNi contain?
Where does the data for CuNi come from?
How It Compares
As a binary alloy system, CuNi serves as a fundamental model for studying the interplay between copper and nickel, providing essential insights into the behavior of metastable metallic phases that lack a singular, dominant structural archetype.
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)
- 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)
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
- cod — Data from the Crystallography Open Database (crystallography.net/cod/). Cite: Grazulis et al., J. Appl. Cryst. 42, 726 (2009). (CC0-1.0)
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