F4H4O12S4
F4H4O12S4 is a wide-gap insulating inorganic compound that exhibits multiple structural configurations despite being thermodynamically unstable.
About F4H4O12S4
F4H4O12S4 is a complex inorganic compound characterized by its wide-band-gap insulating electronic nature. Its atomic arrangement suggests a highly specialized chemical structure that remains a subject of investigation within materials science databases. Due to its position above the thermodynamic hull, this compound is considered to have limited stability under standard conditions. Its existence is documented through multiple structural variations, highlighting the intricate bonding potential of its constituent fluorine, hydrogen, oxygen, and sulfur atoms.
Key Properties
Cross-validated computational properties for F4H4O12S4, 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 F4H4O12S4, 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. |
|---|---|---|---|---|---|
| P212121 (No. 19) | orthorhombic | 3.10 | 0.5795 | -5.190 | 1.45 |
| P212121 (No. 19) | — | — | — | — | — |
| No. 0 | unknown | — | — | — | 0.54 |
Frequently Asked Questions
Common questions about F4H4O12S4, answered from cross-validated data.
What is F4H4O12S4?
F4H4O12S4 is a wide-gap insulating inorganic compound that exhibits multiple structural configurations despite being thermodynamically unstable.
What is the band gap of F4H4O12S4?
Is F4H4O12S4 a metal, semiconductor, or insulator?
Is F4H4O12S4 thermodynamically stable?
What is the crystal structure of F4H4O12S4?
What is the density of F4H4O12S4?
How many polymorphs of F4H4O12S4 are known?
What elements does F4H4O12S4 contain?
Where does the data for F4H4O12S4 come from?
How It Compares
As a unique inorganic entity, F4H4O12S4 occupies a distinct niche in materials research. Without direct structural siblings, its behavior serves as a reference point for understanding the stability limits of complex fluorinated sulfur-oxygen frameworks in insulating materials.
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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