CeNi2
CeNi2 is a thermodynamically stable metallic intermetallic compound formed from cerium and nickel.
About CeNi2
CeNi2 is a metallic intermetallic compound composed of cerium and nickel. As a thermodynamically stable phase located on the convex hull, it represents a robust structural arrangement that is well-documented across multiple materials databases. Its electronic character is defined by its metallic nature, lacking a band gap, which influences its physical response in various environments. The compound is subject to significant interest due to its structural diversity, with numerous reported configurations identified in crystallographic studies. This versatility makes it a valuable subject for understanding the fundamental interactions between rare-earth elements and transition metals in solid-state systems.
Key Properties
Cross-validated computational properties for CeNi2, 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 CeNi2. 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 CeNi2, 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 | 0.0000 | -6.208 | 9.47 |
| Fd-3m (No. 227) | Cubic | — | — | — | 9.26 |
| Fd-3m (No. 227) | Cubic | — | — | — | 9.66 |
| Fd-3m (No. 227) | Cubic | — | — | — | 9.47 |
| — | — | — | — | — | 8.38 |
| No. 0 | unknown | — | — | — | 5.19 |
| Fd-3m (No. 227) | — | — | — | — | — |
| No. 0 | unknown | — | — | — | 2.41 |
| No. 0 | unknown | — | — | — | 5.23 |
Applications
Where CeNi2 is used.
Frequently Asked Questions
Common questions about CeNi2, answered from cross-validated data.
What is CeNi2?
CeNi2 is a thermodynamically stable metallic intermetallic compound formed from cerium and nickel.
What is CeNi2 used for?
What is the band gap of CeNi2?
Is CeNi2 a metal, semiconductor, or insulator?
Is CeNi2 thermodynamically stable?
What is the crystal structure of CeNi2?
What is the density of CeNi2?
How many polymorphs of CeNi2 are known?
What elements does CeNi2 contain?
Where does the data for CeNi2 come from?
How It Compares
As a distinct intermetallic phase, CeNi2 serves as a foundational example of cerium-nickel binary systems. Within the broader class of intermetallic compounds, it is recognized for its high degree of structural stability and well-characterized phase behavior, providing a benchmark for researchers studying the alloying characteristics of lanthanides with transition metals.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
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