BaSn
BaSn is a stable metallic intermetallic compound composed of barium and tin.
About BaSn
BaSn is a binary intermetallic compound characterized by its metallic electronic nature. As a thermodynamically stable phase located on the convex hull, it represents a robust structural arrangement of barium and tin atoms.
This material is notable for its structural diversity, appearing in numerous reported configurations across scientific databases. Its stability and metallic character make it a significant subject of study for understanding phase formation in alkaline earth-post transition metal systems.
Key Properties
Cross-validated computational properties for BaSn, 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 BaSn. 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 BaSn, 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. |
|---|---|---|---|---|---|
| Cmcm (No. 63) | orthorhombic | 0.00 | 0.0000 | -0.772 | — |
| Cmcm (No. 63) | orthorhombic | 0.00 | 0.0000 | -3.667 | 5.28 |
| — | — | 0.00 | 0.0000 | -0.747 | — |
| Pm-3m (No. 221) | cubic | 0.00 | 0.1326 | -0.640 | — |
| — | — | 0.00 | 0.1505 | -0.596 | — |
| — | — | 0.00 | 0.1867 | -0.560 | — |
| — | — | 0.00 | 0.3834 | -0.363 | — |
| — | — | 0.00 | 0.3841 | -0.363 | — |
| — | — | 0.00 | 0.5381 | -0.209 | — |
| — | — | 0.00 | 0.9950 | 0.248 | — |
| P-1 (No. 2) | triclinic | — | — | — | 3.38 |
| P-1 (No. 2) | triclinic | — | — | — | 2.04 |
Applications
Where BaSn is used.
Frequently Asked Questions
Common questions about BaSn, answered from cross-validated data.
What is BaSn?
BaSn is a stable metallic intermetallic compound composed of barium and tin.
What is BaSn used for?
What is the band gap of BaSn?
Is BaSn a metal, semiconductor, or insulator?
Is BaSn thermodynamically stable?
What is the crystal structure of BaSn?
How many polymorphs of BaSn are known?
What elements does BaSn contain?
Where does the data for BaSn come from?
How It Compares
As a thermodynamically stable metallic phase, BaSn serves as a fundamental reference point for binary barium-tin materials, demonstrating the structural complexity that can arise in simple intermetallic systems.
Data sources & attribution
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
- 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)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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