AgI6K2Sc
This compound is a complex inorganic halide containing silver, potassium, scandium, and iodine. It belongs to a class of materials often investigated for their unique structural properties and potential behavior in solid-state ionics.
Key Properties
Cross-validated computational properties for AgI6K2Sc, 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 AgI6K2Sc, 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. |
|---|---|---|---|---|---|
| Fm-3m (No. 225) | cubic | 2.16 | 0.0511 | -3.358 | 3.97 |
| — | — | — | — | — | 3.63 |
| — | — | — | — | — | — |
Applications
Where AgI6K2Sc is used.
Frequently Asked Questions
Common questions about AgI6K2Sc, answered from cross-validated data.
What is AgI6K2Sc?
This compound is a complex inorganic halide containing silver, potassium, scandium, and iodine. It belongs to a class of materials often investigated for their unique structural properties and potential behavior in solid-state ionics.
What is AgI6K2Sc used for?
What is the band gap of AgI6K2Sc?
Is AgI6K2Sc a metal, semiconductor, or insulator?
Is AgI6K2Sc thermodynamically stable?
What is the crystal structure of AgI6K2Sc?
What is the density of AgI6K2Sc?
How many polymorphs of AgI6K2Sc are known?
What elements does AgI6K2Sc contain?
Where does the data for AgI6K2Sc come from?
Related Compounds
Other Halide Perovskite Photovoltaics in the database.
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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