B12H16Na2O14S6
B12H16Na2O14S6 is a complex, semiconducting boron-based compound that exists in a metastable state.
About B12H16Na2O14S6
B12H16Na2O14S6 is a complex inorganic compound containing boron, hydrogen, sodium, oxygen, and sulfur. It exhibits semiconducting electronic behavior, suggesting potential utility in specialized electronic or optoelectronic research applications where specific charge transport properties are required.
Due to its position above the thermodynamic hull, this material is considered metastable. Its existence across multiple reported structures highlights the ongoing interest in characterizing complex borane-sulfate derivatives and understanding their structural evolution under varying conditions.
Key Properties
Cross-validated computational properties for B12H16Na2O14S6, 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 B12H16Na2O14S6, 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. |
|---|---|---|---|---|---|
| P-1 (No. 2) | triclinic | 2.14 | 0.6013 | -5.559 | 1.48 |
| No. 0 | unknown | — | — | — | 0.80 |
| P-1 (No. 2) | — | — | — | — | — |
Applications
Where B12H16Na2O14S6 is used.
Frequently Asked Questions
Common questions about B12H16Na2O14S6, answered from cross-validated data.
What is B12H16Na2O14S6?
B12H16Na2O14S6 is a complex, semiconducting boron-based compound that exists in a metastable state.
What is B12H16Na2O14S6 used for?
What is the band gap of B12H16Na2O14S6?
Is B12H16Na2O14S6 a metal, semiconductor, or insulator?
Is B12H16Na2O14S6 thermodynamically stable?
What is the crystal structure of B12H16Na2O14S6?
What is the density of B12H16Na2O14S6?
How many polymorphs of B12H16Na2O14S6 are known?
What elements does B12H16Na2O14S6 contain?
Where does the data for B12H16Na2O14S6 come from?
How It Compares
As a unique chemical entity within this structural category, B12H16Na2O14S6 serves as an important case study for understanding the stability limits of boron-rich sulfur-containing frameworks. It represents a specialized niche in materials science where structural complexity often dictates its role in experimental synthesis.
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).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
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