LaNiSn
LaNiSn is a stable, metallic intermetallic compound containing lanthanum, nickel, and tin.
About LaNiSn
LaNiSn is a metallic intermetallic compound composed of lanthanum, nickel, and tin. As a thermodynamically stable phase located on the convex hull, it represents a robust structural configuration within its chemical system.
This material is characterized by its metallic electronic nature, making it a subject of interest for researchers investigating the interplay of rare-earth elements and transition metals. Its structural stability across multiple reported datasets highlights its significance in fundamental materials science studies.
Key Properties
Cross-validated computational properties for LaNiSn, 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 LaNiSn. 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 LaNiSn, 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. |
|---|---|---|---|---|---|
| Pnma (No. 62) | orthorhombic | 0.00 | 0.0000 | -5.542 | 7.82 |
| P4/nmm (No. 129) | tetragonal | 0.00 | 0.0000 | -5.469 | 8.62 |
| I4/mmm (No. 139) | tetragonal | 0.00 | 0.0489 | -5.420 | 8.53 |
| F-43m (No. 216) | — | — | — | — | — |
| Pnma (No. 62) | Orthorhombic | — | — | — | 7.76 |
| Pnma (No. 62) | Orthorhombic | — | — | — | 7.90 |
| Pnma (No. 62) | Orthorhombic | — | — | — | 7.84 |
| No. 0 | unknown | — | — | — | 2.59 |
| Pnma (No. 62) | — | — | — | — | — |
| Pnma (No. 62) | — | — | — | — | — |
Applications
Where LaNiSn is used.
Frequently Asked Questions
Common questions about LaNiSn, answered from cross-validated data.
What is LaNiSn?
LaNiSn is a stable, metallic intermetallic compound containing lanthanum, nickel, and tin.
What is LaNiSn used for?
What is the band gap of LaNiSn?
Is LaNiSn a metal, semiconductor, or insulator?
Is LaNiSn thermodynamically stable?
What is the crystal structure of LaNiSn?
What is the density of LaNiSn?
How many polymorphs of LaNiSn are known?
What elements does LaNiSn contain?
Where does the data for LaNiSn come from?
How It Compares
As a distinct intermetallic phase, LaNiSn serves as a primary reference point for studying the structural and electronic behavior of ternary lanthanum-nickel-tin systems, providing a stable baseline for comparing related complex intermetallic architectures.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- nomad — Data from NOMAD. Cite: Draxl & Scheffler, J. Phys. Mater. 2, 036001 (2019).
- mpaloe — Data from mpaloe.
- 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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