AsIF2
AsIF2 is a thermodynamically stable semiconducting material composed of arsenic, iodine, and fluorine.
About AsIF2
AsIF2 is a semiconducting compound that occupies a stable position on the convex hull, indicating significant thermodynamic robustness. Its unique combination of arsenic, iodine, and fluorine suggests a complex bonding environment that is of interest for fundamental materials research.
With multiple reported structures across various databases, this material is a subject of ongoing structural investigation. Its electronic character positions it as a candidate for specialized applications where stable semiconducting behavior is required.
Key Properties
Cross-validated computational properties for AsIF2, 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 AsIF2, 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 | 1.33 | 0.0000 | -3.799 | 4.25 |
| P21/m (No. 11) | Monoclinic | — | — | — | 4.58 |
| P-1 (No. 2) | Triclinic | — | — | — | 4.60 |
| P-1 (No. 2) | Triclinic | — | — | — | 4.80 |
| P4mm (No. 99) | — | — | — | — | — |
| No. 0 | unknown | — | — | — | 0.48 |
Applications
Where AsIF2 is used.
Frequently Asked Questions
Common questions about AsIF2, answered from cross-validated data.
What is AsIF2?
AsIF2 is a thermodynamically stable semiconducting material composed of arsenic, iodine, and fluorine.
What is AsIF2 used for?
What is the band gap of AsIF2?
Is AsIF2 a metal, semiconductor, or insulator?
Is AsIF2 thermodynamically stable?
What is the crystal structure of AsIF2?
What is the density of AsIF2?
How many polymorphs of AsIF2 are known?
What elements does AsIF2 contain?
Where does the data for AsIF2 come from?
How It Compares
As a distinct inorganic compound, AsIF2 represents a unique structural arrangement within its chemical space. While it lacks direct structural siblings in this context, its stability makes it a reliable reference point for exploring the broader properties of arsenic-based halide systems.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
Analyze AsIF2 in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 53 integrated data sources.
Explore the Platform →