NiSn
nickel stannide
Nickel stannide is an intermetallic compound composed of nickel and tin. It is primarily studied for its potential roles in advanced electronics and as a precursor material for specialized metallic coatings.
NiSn
Overview
Key Properties
Cross-validated computational properties for NiSn, aggregated across 4 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.
Metallic / not reported
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.
0.008 eV/atom
Best (lowest) across sources
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.
Near hull (likely stable)
2 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
37
4 databases, 7 space groups
Validation
Cross-Source DFT Agreement
How well independent DFT databases agree on the thermodynamics of NiSn. 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.
1.00 / 1.00
Trust tier: medium
Hull SpreadDifference between the highest and lowest energy-above-hull values reported by comparable sources. Smaller spread means less thermodynamic disagreement.
0.000 eV
EAH spread across sources
Sources ComparedNumber and names of computational sources with comparable entries for this formula.
2
materials_project, nomad
Space Group ConsensusWhether independent sources predict the same crystal symmetry for the lowest-energy structure.
All match
Crystallography
Reported Structures
Lowest-energy structures reported for NiSn, 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. |
|---|---|---|---|---|---|
| Pbam (No. 55) | orthorhombic | 0.00 | 0.0079 | -5.128 | 8.73 |
| No. 0 | unknown | — | — | — | 1.93 |
| C2/m (No. 12) | Monoclinic | — | — | — | 6.36 |
| C2/m (No. 12) | Monoclinic | — | — | — | 4.78 |
| C2/m (No. 12) | Monoclinic | — | — | — | 6.93 |
| No. 0 | unknown | — | — | — | 2.86 |
| No. 0 | unknown | — | — | — | 2.36 |
| No. 0 | unknown | — | — | — | 6.49 |
| No. 0 | unknown | — | — | — | 1.70 |
| No. 0 | unknown | — | — | — | 2.36 |
| C2/m (No. 12) | Monoclinic | — | — | — | 5.12 |
| No. 0 | unknown | — | — | — | 2.00 |
Uses
Applications
Where NiSn is used.
semiconductor device fabricationcatalysis researchinterconnect materials
Reference
Frequently Asked Questions
Common questions about NiSn, answered from cross-validated data.
What is NiSn?
Nickel stannide is an intermetallic compound composed of nickel and tin. It is primarily studied for its potential roles in advanced electronics and as a precursor material for specialized metallic coatings.
More questions
What is NiSn used for?
NiSn is used in semiconductor device fabrication, catalysis research, and interconnect materials.
What is the band gap of NiSn?
NiSn is computed to be metallic (no band gap) in the reported DFT structures.
Is NiSn a metal, semiconductor, or insulator?
Computed band structures report no gap, so it is metallic.
Is NiSn thermodynamically stable?
NiSn has a lowest energy above hull of 0.008 eV/atom (near hull (likely stable)).
What is the crystal structure of NiSn?
The lowest-energy reported polymorph of NiSn is orthorhombic symmetry, space group Pbam (No. 55).
What is the density of NiSn?
The computed density of the ground-state structure of NiSn is 8.73 g/cm³.
How many polymorphs of NiSn are known?
37 structures of NiSn are reported across 4 databases, spanning 7 distinct space groups.
What elements does NiSn contain?
NiSn contains Ni and Sn (2 elements).
Where does the data for NiSn come from?
NiSn data is cross-referenced from materials_project, cod, mpaloe.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
- mpaloe — Data from mpaloe.
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