F3ISb
F3ISb is a thermodynamically stable semiconducting compound composed of fluorine, iodine, and antimony.
About F3ISb
F3ISb is a semiconducting inorganic compound that occupies a stable position on the thermodynamic convex hull. Its unique elemental combination of fluorine, iodine, and antimony suggests a complex structural landscape, as evidenced by its presence across multiple independent materials databases.
This material is of interest to researchers investigating specialized electronic properties in halide-based systems. Its stability makes it a compelling candidate for further experimental characterization and potential integration into electronic or optoelectronic device architectures.
Key Properties
Cross-validated computational properties for F3ISb, 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 F3ISb, 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 | 0.58 | 0.0000 | -4.128 | 4.98 |
| — | — | — | — | — | 4.63 |
| — | — | — | — | — | — |
Applications
Where F3ISb is used.
Frequently Asked Questions
Common questions about F3ISb, answered from cross-validated data.
What is F3ISb?
F3ISb is a thermodynamically stable semiconducting compound composed of fluorine, iodine, and antimony.
What is F3ISb used for?
What is the band gap of F3ISb?
Is F3ISb a metal, semiconductor, or insulator?
Is F3ISb thermodynamically stable?
What is the crystal structure of F3ISb?
What is the density of F3ISb?
How many polymorphs of F3ISb are known?
What elements does F3ISb contain?
Where does the data for F3ISb come from?
How It Compares
As a distinct semiconducting phase, F3ISb represents a unique entry in its chemical space. While it currently stands as a singular study in this context, its thermodynamic stability distinguishes it as a reliable subject for fundamental solid-state research compared to more volatile or metastable counterparts.
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).
- alexandria — Data from alexandria.
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