Na2Sn
Na2Sn is a semimetallic sodium-tin compound that exhibits a complex structural profile and is generally considered to be thermodynamically metastable.
About Na2Sn
Na2Sn is a binary compound composed of sodium and tin, characterized by its semimetallic electronic nature. It exists as a near-zero-gap material, placing it at the boundary between metallic and semiconducting behavior in the alkali metal stannide family. The compound exhibits a complex structural landscape, with multiple reported configurations across crystallographic databases. As a material situated above the thermodynamic hull, its synthesis and long-term stability remain subjects of interest in fundamental materials research.
Key Properties
Cross-validated computational properties for Na2Sn, 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.
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 Na2Sn. 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 Na2Sn, 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. |
|---|---|---|---|---|---|
| I41/acd (No. 142) | tetragonal | 0.06 | 0.1155 | -10.759 | 2.90 |
| No. 0 | unknown | — | — | — | 0.14 |
| Cmcm (No. 63) | — | — | — | — | — |
| P-1 (No. 2) | Triclinic | — | — | — | 1.58 |
| No. 0 | unknown | — | — | — | 0.12 |
| No. 0 | unknown | — | — | — | 0.14 |
| P-1 (No. 2) | Triclinic | — | — | — | 1.60 |
| P-1 (No. 2) | Triclinic | — | — | — | 1.67 |
Applications
Where Na2Sn is used.
Frequently Asked Questions
Common questions about Na2Sn, answered from cross-validated data.
What is Na2Sn?
Na2Sn is a semimetallic sodium-tin compound that exhibits a complex structural profile and is generally considered to be thermodynamically metastable.
What is Na2Sn used for?
What is the band gap of Na2Sn?
Is Na2Sn a metal, semiconductor, or insulator?
Is Na2Sn thermodynamically stable?
What is the crystal structure of Na2Sn?
What is the density of Na2Sn?
How many polymorphs of Na2Sn are known?
What elements does Na2Sn contain?
Where does the data for Na2Sn come from?
How It Compares
As a binary alkali metal stannide, Na2Sn represents a specific stoichiometry within the broader group of sodium-tin intermetallics. Unlike more robust, thermodynamically favored phases, this compound occupies a unique position in the phase diagram, requiring careful control of synthesis conditions to access its semimetallic state.
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).
- nomad — Data from NOMAD. Cite: Draxl & Scheffler, J. Phys. Mater. 2, 036001 (2019).
- mpaloe — Data from mpaloe.
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