As2F12I2Se12
As2F12I2Se12 is a thermodynamically stable semiconducting compound composed of arsenic, fluorine, iodine, and selenium.
About As2F12I2Se12
As2F12I2Se12 is a complex inorganic compound characterized by its semiconducting electronic nature. Its presence on the thermodynamic convex hull indicates that it is a stable phase, making it a subject of interest for researchers investigating multi-element chalcogenide-halide systems. The material has been documented with multiple structural configurations across various databases, highlighting its structural versatility. As a stable semiconductor, it serves as a valuable candidate for exploring electronic properties in complex chemical environments. Its unique composition of arsenic, fluorine, iodine, and selenium allows for potential tuning of its physical characteristics for specialized technological applications.
Key Properties
Cross-validated computational properties for As2F12I2Se12, 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 As2F12I2Se12, 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. |
|---|---|---|---|---|---|
| P2/c (No. 13) | monoclinic | 1.58 | 0.0000 | -4.074 | 3.79 |
| P2/c (No. 13) | — | — | — | — | — |
| P2/c (No. 13) | — | — | — | — | — |
| — | — | — | — | — | 3.77 |
Applications
Where As2F12I2Se12 is used.
Frequently Asked Questions
Common questions about As2F12I2Se12, answered from cross-validated data.
What is As2F12I2Se12?
As2F12I2Se12 is a thermodynamically stable semiconducting compound composed of arsenic, fluorine, iodine, and selenium.
What is As2F12I2Se12 used for?
What is the band gap of As2F12I2Se12?
Is As2F12I2Se12 a metal, semiconductor, or insulator?
Is As2F12I2Se12 thermodynamically stable?
What is the crystal structure of As2F12I2Se12?
What is the density of As2F12I2Se12?
How many polymorphs of As2F12I2Se12 are known?
What elements does As2F12I2Se12 contain?
Where does the data for As2F12I2Se12 come from?
How It Compares
As a distinct inorganic compound, As2F12I2Se12 occupies a unique niche in materials science. Without direct structural siblings in its immediate class, it stands as an independent example of how multi-anion systems can achieve thermodynamic stability, serving as a benchmark for future investigations into similar complex semiconducting frameworks.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- nomad — Data from NOMAD. Cite: Draxl & Scheffler, J. Phys. Mater. 2, 036001 (2019).
- 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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