I8P16S12
I8P16S12 is a thermodynamically stable semiconducting compound formed from iodine, phosphorus, and sulfur.
About I8P16S12
I8P16S12 is a complex inorganic compound composed of iodine, phosphorus, and sulfur. As a thermodynamically stable material situated on the convex hull, it represents a robust structural arrangement within its chemical system. Its stability suggests a well-defined atomic configuration that is energetically favorable under standard conditions.
This material exhibits semiconducting electronic character, making it an interesting candidate for electronic and optoelectronic research. The interplay between the chalcogen, pnictogen, and halogen elements provides a unique electronic environment that distinguishes it from simpler binary or ternary systems.
Key Properties
Cross-validated computational properties for I8P16S12, 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 I8P16S12, 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 | 2.26 | 0.0000 | -4.520 | 2.77 |
| Pnma (No. 62) | orthorhombic | 1.83 | 0.0184 | -4.502 | 2.94 |
| Pnma (No. 62) | — | — | — | — | — |
| Pnma (No. 62) | — | — | — | — | — |
| No. 0 | unknown | — | — | — | 1.51 |
| P-1 (No. 2) | — | — | — | — | — |
Applications
Where I8P16S12 is used.
Frequently Asked Questions
Common questions about I8P16S12, answered from cross-validated data.
What is I8P16S12?
I8P16S12 is a thermodynamically stable semiconducting compound formed from iodine, phosphorus, and sulfur.
What is I8P16S12 used for?
What is the band gap of I8P16S12?
Is I8P16S12 a metal, semiconductor, or insulator?
Is I8P16S12 thermodynamically stable?
What is the crystal structure of I8P16S12?
What is the density of I8P16S12?
How many polymorphs of I8P16S12 are known?
What elements does I8P16S12 contain?
Where does the data for I8P16S12 come from?
How It Compares
As a specialized compound within its chemical family, I8P16S12 serves as a distinct structural representative. Unlike more common or widely studied materials, this compound occupies a unique niche, offering a specific electronic profile that researchers utilize to explore the boundaries of semiconducting behavior in complex multi-element systems.
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).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
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