Cu3Ni
Copper-nickel alloy
This material is a metallic alloy composed of copper and nickel. It is primarily utilized for its mechanical strength and resistance to environmental degradation in demanding industrial settings.
CuNi
Overview
Key Properties
Cross-validated computational properties for Cu3Ni, 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.
Metallic / not reported
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.
0.059 eV/atom
Best (lowest) across sources
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.
Metastable
4 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
7
5 databases, 3 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for Cu3Ni, 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. |
|---|---|---|---|---|---|
| Cmmm (No. 65) | orthorhombic | 0.00 | 0.0592 | -11.071 | 9.26 |
| Pm-3m (No. 221) | — | — | — | — | — |
| Cmmm (No. 65) | Orthorhombic | — | — | — | 9.00 |
| P-6m2 (No. 187) | — | — | — | — | — |
| Cmmm (No. 65) | Orthorhombic | — | — | — | 9.42 |
| Cmmm (No. 65) | Orthorhombic | — | — | — | 9.28 |
| — | — | — | — | — | 8.93 |
Uses
Applications
Where Cu3Ni is used.
Marine hardwareHeat exchangersDesalination plantsCoinage
Reference
Frequently Asked Questions
Common questions about Cu3Ni, answered from cross-validated data.
What is Cu3Ni?
This material is a metallic alloy composed of copper and nickel. It is primarily utilized for its mechanical strength and resistance to environmental degradation in demanding industrial settings.
More questions
What is Cu3Ni used for?
Cu3Ni is used in marine hardware, heat exchangers, desalination plants, and coinage.
What is the band gap of Cu3Ni?
Cu3Ni is computed to be metallic (no band gap) in the reported DFT structures.
Is Cu3Ni a metal, semiconductor, or insulator?
Computed band structures report no gap, so it is metallic.
Is Cu3Ni thermodynamically stable?
Cu3Ni has a lowest energy above hull of 0.059 eV/atom (metastable).
What is the crystal structure of Cu3Ni?
The lowest-energy reported polymorph of Cu3Ni is orthorhombic symmetry, space group Cmmm (No. 65).
What is the density of Cu3Ni?
The computed density of the ground-state structure of Cu3Ni is 9.26 g/cm³.
How many polymorphs of Cu3Ni are known?
7 structures of Cu3Ni are reported across 5 databases, spanning 3 distinct space groups.
What elements does Cu3Ni contain?
Cu3Ni contains Cu and Ni (2 elements).
Where does the data for Cu3Ni come from?
Cu3Ni data is cross-referenced from materials_project, jarvis, mpaloe, nomad, omat24.
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).
- mpaloe — Data from mpaloe.
- nomad — Data from NOMAD. Cite: Draxl & Scheffler, J. Phys. Mater. 2, 036001 (2019).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
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