Na5Sn2
Na5Sn2 is a thermodynamically stable metallic compound formed from sodium and tin that is frequently studied for its structural properties.
About Na5Sn2
Na5Sn2 is a metallic intermetallic compound composed of sodium and tin. As a thermodynamically stable phase residing on the convex hull, it represents a robust configuration within the binary system, characterized by its lack of a band gap and distinct electronic behavior typical of metallic alloys.
This material is of significant interest in the study of alkali-metal alloys and their structural diversity. With multiple reported structures across various databases, it serves as a key reference point for researchers investigating the complex phase space of sodium-tin compounds and their potential utility in advanced electrochemical applications.
Key Properties
Cross-validated computational properties for Na5Sn2, 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 Na5Sn2. 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 Na5Sn2, 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. |
|---|---|---|---|---|---|
| R-3m (No. 166) | trigonal | 0.00 | 0.0000 | -9.857 | 3.12 |
| No. 0 | unknown | — | — | — | 0.39 |
| R-3m (No. 166) | Trigonal | — | — | — | 2.97 |
| R-3m (No. 166) | Trigonal | — | — | — | 3.05 |
| R-3m (No. 166) | Trigonal | — | — | — | 3.09 |
| — | — | — | — | — | 2.84 |
| — | — | — | — | — | 2.84 |
| — | — | — | — | — | 2.84 |
| R-3m (No. 166) | — | — | — | — | — |
Applications
Where Na5Sn2 is used.
Frequently Asked Questions
Common questions about Na5Sn2, answered from cross-validated data.
What is Na5Sn2?
Na5Sn2 is a thermodynamically stable metallic compound formed from sodium and tin that is frequently studied for its structural properties.
What is Na5Sn2 used for?
What is the band gap of Na5Sn2?
Is Na5Sn2 a metal, semiconductor, or insulator?
Is Na5Sn2 thermodynamically stable?
What is the crystal structure of Na5Sn2?
What is the density of Na5Sn2?
How many polymorphs of Na5Sn2 are known?
What elements does Na5Sn2 contain?
Where does the data for Na5Sn2 come from?
How It Compares
As a thermodynamically stable member of the sodium-tin binary system, Na5Sn2 occupies a well-defined position in the structural landscape of these intermetallics, providing a stable baseline for understanding the metallic bonding and phase formation characteristics inherent to this class of materials.
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.
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
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