Na16O40S16
Na16O40S16 is a metastable, insulating compound composed of sodium, oxygen, and sulfur used in fundamental materials science research.
About Na16O40S16
Na16O40S16 is a complex inorganic compound characterized by its insulating electronic nature and wide band gap. As a metastable phase, it represents a specific structural arrangement of sodium, oxygen, and sulfur atoms that exists in a delicate energy landscape. Its structural complexity makes it a subject of interest for fundamental materials research into sulfur-oxygen-sodium systems. Because it is a metastable material, it serves as a valuable case study for understanding phase stability and synthesis pathways in non-equilibrium inorganic chemistry. It is primarily utilized in theoretical and experimental investigations aimed at mapping the structural diversity of complex sodium-based salts.
Key Properties
Cross-validated computational properties for Na16O40S16, 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 Na16O40S16, 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. |
|---|---|---|---|---|---|
| P21/c (No. 14) | monoclinic | 3.30 | 0.0606 | -5.888 | 2.22 |
| P1 (No. 1) | triclinic | 0.00 | 0.6179 | -5.331 | 2.07 |
| — | — | — | — | — | 2.42 |
| No. 0 | unknown | — | — | — | 0.60 |
Applications
Where Na16O40S16 is used.
Frequently Asked Questions
Common questions about Na16O40S16, answered from cross-validated data.
What is Na16O40S16?
Na16O40S16 is a metastable, insulating compound composed of sodium, oxygen, and sulfur used in fundamental materials science research.
What is Na16O40S16 used for?
What is the band gap of Na16O40S16?
Is Na16O40S16 a metal, semiconductor, or insulator?
Is Na16O40S16 thermodynamically stable?
What is the crystal structure of Na16O40S16?
What is the density of Na16O40S16?
How many polymorphs of Na16O40S16 are known?
What elements does Na16O40S16 contain?
Where does the data for Na16O40S16 come from?
How It Compares
As a unique inorganic phase, Na16O40S16 occupies a specialized niche within its chemical system, representing a distinct structural configuration that highlights the diverse bonding possibilities between sodium, oxygen, and sulfur.
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).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
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