CdNi
CdNi is a metallic binary intermetallic compound known for its structural diversity and potential for experimental synthesis.
About CdNi
CdNi is a metallic intermetallic compound characterized by its high degree of structural complexity. With numerous reported configurations across multiple databases, it represents a significant subject for researchers investigating the phase stability and bonding behavior of cadmium-nickel systems.
Its proximity to the thermodynamic hull suggests that CdNi is a viable candidate for experimental synthesis. As a metallic phase, it plays a role in understanding the fundamental electronic interactions between transition metals and post-transition elements in binary alloys.
Key Properties
Cross-validated computational properties for CdNi, 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 CdNi. 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 CdNi, 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. |
|---|---|---|---|---|---|
| Fd-3m (No. 227) | cubic | 0.00 | 0.0064 | -16.037 | 9.27 |
| Fd-3m (No. 227) | cubic | 0.00 | 0.3961 | -15.647 | 7.65 |
| P21/m (No. 11) | Monoclinic | — | — | — | 8.49 |
| P-6m2 (No. 187) | — | — | — | — | — |
| Fd-3m (No. 227) | cubic | — | — | — | 0.38 |
| Fd-3m (No. 227) | Cubic | — | — | — | 9.31 |
| Fd-3m (No. 227) | Cubic | — | — | — | 9.43 |
| Fd-3m (No. 227) | Cubic | — | — | — | 9.08 |
| P-1 (No. 2) | Triclinic | — | — | — | 7.26 |
| P-1 (No. 2) | Triclinic | — | — | — | 7.11 |
| P-1 (No. 2) | Triclinic | — | — | — | 5.99 |
| — | — | — | — | — | 8.08 |
Applications
Where CdNi is used.
Frequently Asked Questions
Common questions about CdNi, answered from cross-validated data.
What is CdNi?
CdNi is a metallic binary intermetallic compound known for its structural diversity and potential for experimental synthesis.
What is CdNi used for?
What is the band gap of CdNi?
Is CdNi a metal, semiconductor, or insulator?
Is CdNi thermodynamically stable?
What is the crystal structure of CdNi?
What is the density of CdNi?
How many polymorphs of CdNi are known?
What elements does CdNi contain?
Where does the data for CdNi come from?
How It Compares
As a binary intermetallic, CdNi serves as a foundational example of the structural variety possible within cadmium-nickel systems, providing a benchmark for understanding how these elements organize into stable metallic phases.
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).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
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