CaNi2
CaNi2 is a thermodynamically stable metallic intermetallic compound formed from calcium and nickel.
About CaNi2
CaNi2 is a metallic intermetallic compound composed of calcium and nickel. As a thermodynamically stable phase located on the convex hull, it represents a robust structural arrangement of these two elements, reflecting a favorable energetic state in its crystalline configuration. Its metallic character suggests high electrical and thermal conductivity typical of this class of binary alloys. The compound has been extensively documented across multiple structural databases, highlighting its significance in fundamental materials research. Its stability makes it a reliable subject for studying phase formation and the interactions between alkaline earth metals and transition metals.
Key Properties
Cross-validated computational properties for CaNi2, 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 CaNi2. 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 CaNi2, 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 | -4.711 | 5.78 |
| Fd-3m (No. 227) | — | — | — | — | — |
| Fd-3m (No. 227) | — | — | — | — | — |
| — | — | — | — | — | 4.50 |
| Fd-3m (No. 227) | Cubic | — | — | — | 5.80 |
| — | — | — | — | — | 4.50 |
| Fd-3m (No. 227) | Cubic | — | — | — | 5.88 |
| Fd-3m (No. 227) | Cubic | — | — | — | 5.66 |
| No. 0 | unknown | — | — | — | 1.52 |
Applications
Where CaNi2 is used.
Frequently Asked Questions
Common questions about CaNi2, answered from cross-validated data.
What is CaNi2?
CaNi2 is a thermodynamically stable metallic intermetallic compound formed from calcium and nickel.
What is CaNi2 used for?
What is the band gap of CaNi2?
Is CaNi2 a metal, semiconductor, or insulator?
Is CaNi2 thermodynamically stable?
What is the crystal structure of CaNi2?
What is the density of CaNi2?
How many polymorphs of CaNi2 are known?
What elements does CaNi2 contain?
Where does the data for CaNi2 come from?
How It Compares
As a stable binary intermetallic, CaNi2 serves as a foundational example of how calcium and nickel combine to form ordered crystalline lattices. Without other specific siblings in this immediate class for direct contrast, it stands as a representative model for understanding the bonding preferences and structural diversity inherent in calcium-nickel systems.
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).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
- mpaloe — Data from mpaloe.
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
Analyze CaNi2 in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 53 integrated data sources.
Explore the Platform →