As6Cd4I2
As6Cd4I2 is a semiconducting inorganic compound that exhibits sufficient thermodynamic stability to be considered a target for laboratory synthesis.
About As6Cd4I2
As6Cd4I2 is a complex inorganic compound characterized by its semiconducting electronic nature. Its position near the thermodynamic hull suggests that it is a viable candidate for experimental synthesis and further characterization in materials research.
Given its structural diversity across multiple databases, this compound represents an intriguing subject for studies into arsenic-cadmium-iodine systems. Its potential utility lies in its unique electronic configuration, which may offer specific advantages for specialized semiconductor technologies.
Key Properties
Cross-validated computational properties for As6Cd4I2, 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 As6Cd4I2, 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. |
|---|---|---|---|---|---|
| C2/c (No. 15) | monoclinic | 0.76 | 0.0064 | -3.162 | 5.85 |
| Cc (No. 9) | monoclinic | — | — | — | 1.51 |
| C2/c (No. 15) | — | — | — | — | — |
| Cc (No. 9) | — | — | — | — | — |
| — | — | — | — | — | 5.47 |
Applications
Where As6Cd4I2 is used.
Frequently Asked Questions
Common questions about As6Cd4I2, answered from cross-validated data.
What is As6Cd4I2?
As6Cd4I2 is a semiconducting inorganic compound that exhibits sufficient thermodynamic stability to be considered a target for laboratory synthesis.
What is As6Cd4I2 used for?
What is the band gap of As6Cd4I2?
Is As6Cd4I2 a metal, semiconductor, or insulator?
Is As6Cd4I2 thermodynamically stable?
What is the crystal structure of As6Cd4I2?
What is the density of As6Cd4I2?
How many polymorphs of As6Cd4I2 are known?
What elements does As6Cd4I2 contain?
Where does the data for As6Cd4I2 come from?
How It Compares
As an unclassified material with multiple reported structural variations, As6Cd4I2 serves as a distinct point of study within the broader landscape of semiconducting chalcogenide-like halides, providing a unique structural framework that warrants further investigation compared to more conventional binary semiconductors.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
- 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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