H8N12O2S8
H8N12O2S8 is a semiconducting molecular compound containing hydrogen, nitrogen, oxygen, and sulfur that is currently being investigated for its unique structural properties.
About H8N12O2S8
H8N12O2S8 is a complex molecular compound composed of hydrogen, nitrogen, oxygen, and sulfur. It exhibits semiconducting electronic behavior, making it a subject of interest for fundamental studies in materials science and chemical bonding.
As a material that resides above the thermodynamic hull, it is considered metastable or unstable under standard conditions. Its characterization across multiple databases highlights its role as a niche compound within the broader landscape of synthetic inorganic chemistry.
Key Properties
Cross-validated computational properties for H8N12O2S8, 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 H8N12O2S8, 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/m (No. 12) | monoclinic | 2.21 | 0.3309 | -5.762 | 1.96 |
| C2/m (No. 12) | — | — | — | — | — |
| — | — | — | — | — | 1.47 |
Applications
Where H8N12O2S8 is used.
Frequently Asked Questions
Common questions about H8N12O2S8, answered from cross-validated data.
What is H8N12O2S8?
H8N12O2S8 is a semiconducting molecular compound containing hydrogen, nitrogen, oxygen, and sulfur that is currently being investigated for its unique structural properties.
What is H8N12O2S8 used for?
What is the band gap of H8N12O2S8?
Is H8N12O2S8 a metal, semiconductor, or insulator?
Is H8N12O2S8 thermodynamically stable?
What is the crystal structure of H8N12O2S8?
What is the density of H8N12O2S8?
How many polymorphs of H8N12O2S8 are known?
What elements does H8N12O2S8 contain?
Where does the data for H8N12O2S8 come from?
How It Compares
As a unique chemical entity, H8N12O2S8 occupies a specialized position in materials research. Without direct structural siblings in its immediate class, it serves as an important case study for understanding the stability and electronic properties of complex nitrogen-sulfur frameworks.
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).
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