H34N10S6Si2
This complex silicon-nitrogen-sulfur compound is a specialized chemical species typically utilized in advanced materials research. It serves as a precursor or reagent in the synthesis of specialized organosilicon frameworks and thin-film deposition processes.
Overview
Key Properties
Cross-validated computational properties for H34N10S6Si2, aggregated across 4 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.
3.34 eV
Range across DFT structures
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.
0.000 eV/atom
Best (lowest) across sources
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.
On hull (stable)
2 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
4
4 databases, 2 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for H34N10S6Si2, 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 | 3.34 | 0.0000 | -5.058 | 1.28 |
| P-1 (No. 2) | — | — | — | — | — |
| — | — | — | — | — | 1.28 |
| No. 0 | unknown | — | — | — | 0.65 |
Uses
Applications
Where H34N10S6Si2 is used.
Chemical vapor depositionMaterials science researchPrecursor for silicon-based thin films
Reference
Frequently Asked Questions
Common questions about H34N10S6Si2, answered from cross-validated data.
What is H34N10S6Si2?
This complex silicon-nitrogen-sulfur compound is a specialized chemical species typically utilized in advanced materials research. It serves as a precursor or reagent in the synthesis of specialized organosilicon frameworks and thin-film deposition processes.
What is H34N10S6Si2 used for?
H34N10S6Si2 is used in chemical vapor deposition, materials science research, and precursor for silicon-based thin films.
What is the band gap of H34N10S6Si2?
H34N10S6Si2 has a DFT-computed band gap of 3.34 eV across 4 reported structures.
Is H34N10S6Si2 a metal, semiconductor, or insulator?
With a wide band gap up to 3.34 eV it is an insulator / wide-band-gap material.
Is H34N10S6Si2 thermodynamically stable?
Yes — H34N10S6Si2 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of H34N10S6Si2?
The lowest-energy reported polymorph of H34N10S6Si2 is triclinic symmetry, space group P-1 (No. 2).
What is the density of H34N10S6Si2?
The computed density of the ground-state structure of H34N10S6Si2 is 1.28 g/cm³.
How many polymorphs of H34N10S6Si2 are known?
4 structures of H34N10S6Si2 are reported across 4 databases, spanning 2 distinct space groups.
What elements does H34N10S6Si2 contain?
H34N10S6Si2 contains H, N, S, and Si (4 elements).
Where does the data for H34N10S6Si2 come from?
H34N10S6Si2 data is cross-referenced from materials_project, aflow, omat24, cod.
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Related Compounds
Other Hydrogen Storage Hydrides in the database.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
- 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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