B2Na6S6
B2Na6S6 is a stable, semiconducting ternary sulfide compound composed of boron, sodium, and sulfur.
About B2Na6S6
B2Na6S6 is a complex ternary sulfide that exists as a thermodynamically stable phase on the convex hull. Its semiconducting electronic character makes it an intriguing candidate for specialized solid-state applications where electronic tunability is required.
Given its presence across multiple structural databases, this material is well-documented for researchers investigating boron-sodium-sulfur systems. Its stability suggests potential for synthesis and integration into experimental material frameworks.
Key Properties
Cross-validated computational properties for B2Na6S6, 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.
Reported Structures
Lowest-energy structures reported for B2Na6S6, 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. |
|---|---|---|---|---|---|
| C2/c (No. 15) | monoclinic | 2.58 | 0.0000 | -4.458 | 2.05 |
| — | — | — | — | — | 1.84 |
| C2/c (No. 15) | — | — | — | — | — |
| — | — | — | — | — | 1.87 |
Applications
Where B2Na6S6 is used.
Frequently Asked Questions
Common questions about B2Na6S6, answered from cross-validated data.
What is B2Na6S6?
B2Na6S6 is a stable, semiconducting ternary sulfide compound composed of boron, sodium, and sulfur.
What is B2Na6S6 used for?
What is the band gap of B2Na6S6?
Is B2Na6S6 a metal, semiconductor, or insulator?
Is B2Na6S6 thermodynamically stable?
What is the crystal structure of B2Na6S6?
What is the density of B2Na6S6?
How many polymorphs of B2Na6S6 are known?
What elements does B2Na6S6 contain?
Where does the data for B2Na6S6 come from?
How It Compares
As a unique ternary sulfide, B2Na6S6 occupies a distinct position in materials research, serving as a foundational example of stable, semiconducting boron-based chalcogenides that warrant further investigation for their electronic properties.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
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