NaSn
NaSn is a thermodynamically stable semiconducting intermetallic compound composed of sodium and tin.
About NaSn
NaSn is a distinct intermetallic compound formed from sodium and tin. As a thermodynamically stable phase residing on the convex hull, it represents a robust configuration of these elements that maintains structural integrity under standard conditions.
This material exhibits semiconducting electronic character, making it a subject of interest for researchers investigating the intersection of alkali metal reactivity and semiconductor physics. Its presence across multiple structural databases highlights its significance in fundamental materials exploration.
Key Properties
Cross-validated computational properties for NaSn, aggregated across 6 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 NaSn. 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 NaSn, 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. |
|---|---|---|---|---|---|
| — | — | 0.44 | 0.0000 | -0.324 | — |
| I41/acd (No. 142) | tetragonal | 0.34 | 0.0000 | -14.421 | 3.98 |
| — | — | 0.44 | 0.0005 | -0.324 | — |
| R-3m (No. 166) | trigonal | 0.00 | 0.0015 | -0.208 | — |
| — | — | 0.00 | 0.0735 | -0.251 | — |
| — | — | 0.00 | 0.1047 | -0.219 | — |
| — | — | 0.00 | 0.1220 | -0.202 | — |
| — | — | 0.00 | 0.1297 | -0.194 | — |
| — | — | 0.00 | 0.1413 | -0.183 | — |
| — | — | 0.00 | 0.5013 | 0.177 | — |
| — | — | 0.00 | 0.9229 | 0.599 | — |
| P-1 (No. 2) | triclinic | — | — | — | 3.93 |
Frequently Asked Questions
Common questions about NaSn, answered from cross-validated data.
What is NaSn?
NaSn is a thermodynamically stable semiconducting intermetallic compound composed of sodium and tin.
What is the band gap of NaSn?
Is NaSn a metal, semiconductor, or insulator?
Is NaSn thermodynamically stable?
What is the crystal structure of NaSn?
What is the density of NaSn?
How many polymorphs of NaSn are known?
What elements does NaSn contain?
Where does the data for NaSn come from?
How It Compares
As a standalone entry in this context, NaSn serves as a primary example of stable binary phases within the sodium-tin system, providing a baseline for understanding how alkali-metal-based intermetallics can achieve semiconducting behavior.
Data sources & attribution
- oqmd — Data from the OQMD (oqmd.org). Cite: Saal et al., JOM 65, 1501 (2013); Kirklin et al., npj Comp. Mater. 1, 15010 (2015). (CC-BY-4.0)
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
- cod — Data from the Crystallography Open Database (crystallography.net/cod/). Cite: Grazulis et al., J. Appl. Cryst. 42, 726 (2009). (CC0-1.0)
- nomad — Data from NOMAD (nomad-lab.eu). Cite: Draxl & Scheffler, J. Phys. Mater. 2, 036001 (2019). (CC-BY-4.0)
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