LaNi2
LaNi2 is a metallic intermetallic compound formed from lanthanum and nickel that is recognized for its structural diversity and potential for synthesis.
About LaNi2
LaNi2 is a metallic intermetallic compound composed of lanthanum and nickel. As a near-hull phase, it exhibits favorable thermodynamic stability, suggesting it is a viable candidate for experimental synthesis and characterization within materials science research.
Given its status as a data-rich material with numerous reported structures, it serves as a significant subject for studies involving transition metal alloys. Its metallic nature and structural versatility make it a point of interest for researchers investigating complex intermetallic systems.
Key Properties
Cross-validated computational properties for LaNi2, 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 LaNi2. 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 LaNi2, 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 | 0.0236 | -5.818 | 8.73 |
| Fd-3m (No. 227) | — | — | — | — | — |
| Fd-3m (No. 227) | — | — | — | — | — |
| No. 0 | unknown | — | — | — | 4.92 |
| Fd-3m (No. 227) | Cubic | — | — | — | 8.84 |
| — | — | — | — | — | 7.44 |
| P6/mmm (No. 191) | hexagonal | — | — | — | 4.91 |
| Fd-3m (No. 227) | Cubic | — | — | — | 8.57 |
| Fd-3m (No. 227) | Cubic | — | — | — | 8.72 |
| No. 0 | unknown | — | — | — | 4.92 |
| No. 0 | unknown | — | — | — | 4.98 |
| No. 0 | unknown | — | — | — | 1.08 |
Applications
Where LaNi2 is used.
Frequently Asked Questions
Common questions about LaNi2, answered from cross-validated data.
What is LaNi2?
LaNi2 is a metallic intermetallic compound formed from lanthanum and nickel that is recognized for its structural diversity and potential for synthesis.
What is LaNi2 used for?
What is the band gap of LaNi2?
Is LaNi2 a metal, semiconductor, or insulator?
Is LaNi2 thermodynamically stable?
What is the crystal structure of LaNi2?
What is the density of LaNi2?
How many polymorphs of LaNi2 are known?
What elements does LaNi2 contain?
Where does the data for LaNi2 come from?
How It Compares
As a member of the lanthanum-nickel binary system, LaNi2 represents a distinct stoichiometry that complements the broader landscape of rare-earth intermetallics. It occupies a specific structural niche that bridges the gap between simpler binary phases and more complex ternary hydride-forming alloys.
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).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
- mpaloe — Data from mpaloe.
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
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