SnB6
SnB6 is a semiconducting tin boride compound that exists in a metastable state.
About SnB6
SnB6 is a semiconducting binary compound composed of tin and boron. As a material that exists above the thermodynamic hull, it represents a metastable phase that requires specific synthesis conditions to stabilize its structural configuration.
Despite its energetic profile, the compound has garnered interest in materials research, with multiple reported structures across various databases. Its semiconducting nature makes it a subject of study for potential electronic applications where unique metal-boron bonding environments are desired.
Key Properties
Cross-validated computational properties for SnB6, aggregated across 3 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 SnB6. 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 SnB6, 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. |
|---|---|---|---|---|---|
| Pm-3m (No. 221) | cubic | 0.79 | 0.1585 | 0.158 | — |
| — | — | 0.87 | 0.1612 | 0.161 | — |
| Pm-3m (No. 221) | cubic | 0.75 | 0.1739 | -9.658 | 4.11 |
| P1 (No. 1) | triclinic | — | — | — | 3.36 |
| P-1 (No. 2) | triclinic | — | — | — | 1.70 |
| P1 (No. 1) | triclinic | — | — | — | 3.59 |
| P-1 (No. 2) | triclinic | — | — | — | 1.67 |
| C2/m (No. 12) | monoclinic | — | — | — | 2.26 |
| Amm2 (No. 38) | orthorhombic | — | — | — | 3.37 |
| C2/m (No. 12) | monoclinic | — | — | — | 2.00 |
| P-1 (No. 2) | triclinic | — | — | — | 1.75 |
| Amm2 (No. 38) | orthorhombic | — | — | — | 3.31 |
Applications
Where SnB6 is used.
Frequently Asked Questions
Common questions about SnB6, answered from cross-validated data.
What is SnB6?
SnB6 is a semiconducting tin boride compound that exists in a metastable state.
What is SnB6 used for?
What is the band gap of SnB6?
Is SnB6 a metal, semiconductor, or insulator?
Is SnB6 thermodynamically stable?
What is the crystal structure of SnB6?
How many polymorphs of SnB6 are known?
What elements does SnB6 contain?
Where does the data for SnB6 come from?
How It Compares
As a binary tin boride, SnB6 occupies a specialized niche in materials science. Unlike more common, highly stable borides, this compound is characterized by its metastable nature, serving as a case study for researchers investigating the limits of structural diversity in boron-rich 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)
- 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)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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