H34N10S6Si2
H34N10S6Si2 is a thermodynamically stable, insulating complex hydride designed for hydrogen storage applications.
About H34N10S6Si2
H34N10S6Si2 is a complex hydrogen storage hydride characterized by its wide-band-gap insulating electronic structure. As a thermodynamically stable phase located on the convex hull, it represents a robust configuration for potential hydrogen containment applications.
This material is of significant interest in the field of chemical energy storage due to its unique structural composition. Its stability and insulating nature make it a distinct subject for researchers investigating efficient and safe hydrogen-based energy carriers.
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.
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 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 |
| — | — | — | — | — | 1.28 |
| No. 0 | unknown | — | — | — | 0.65 |
| P-1 (No. 2) | — | — | — | — | — |
Applications
Where H34N10S6Si2 is used.
Frequently Asked Questions
Common questions about H34N10S6Si2, answered from cross-validated data.
What is H34N10S6Si2?
H34N10S6Si2 is a thermodynamically stable, insulating complex hydride designed for hydrogen storage applications.
What is H34N10S6Si2 used for?
What is the band gap of H34N10S6Si2?
Is H34N10S6Si2 a metal, semiconductor, or insulator?
Is H34N10S6Si2 thermodynamically stable?
What is the crystal structure of H34N10S6Si2?
What is the density of H34N10S6Si2?
How many polymorphs of H34N10S6Si2 are known?
What elements does H34N10S6Si2 contain?
Where does the data for H34N10S6Si2 come from?
How It Compares
Within the hydrogen storage hydrides class.
Within the class of hydrogen storage hydrides, H34N10S6Si2 occupies a specialized niche compared to simpler, more traditional binary hydrides like LiH or MgH2. While those common members are frequently utilized for their high gravimetric density, this complex silicon-nitrogen-sulfur-based hydride offers a more sophisticated structural framework that differentiates it from the simpler metal-hydride systems like AlH3 or CaH2.
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).
- 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).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
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