Al2Dy6Fe2S14
Al2Dy6Fe2S14 is a metastable, semiconducting quaternary sulfide containing dysprosium, iron, and aluminum.
About Al2Dy6Fe2S14
Al2Dy6Fe2S14 is a complex quaternary sulfide that functions as a semiconducting material within the rare-earth permanent magnet class. Its unique electronic character and metastable nature make it a subject of interest for researchers investigating magnetic interactions in non-oxide lattices. The compound is primarily studied for its structural complexity and the potential to tune magnetic properties through chemical substitution. As a member of a specialized family of rare-earth sulfides, it serves as a platform for understanding how iron and dysprosium centers coordinate within a sulfur-rich environment to influence magnetic behavior.
Key Properties
Cross-validated computational properties for Al2Dy6Fe2S14, 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 Al2Dy6Fe2S14, 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. |
|---|---|---|---|---|---|
| P63 (No. 173) | hexagonal | 0.21 | 0.0560 | -6.421 | 5.54 |
| — | — | — | — | — | 4.80 |
| P21 (No. 4) | — | — | — | — | — |
Applications
Where Al2Dy6Fe2S14 is used.
Frequently Asked Questions
Common questions about Al2Dy6Fe2S14, answered from cross-validated data.
What is Al2Dy6Fe2S14?
Al2Dy6Fe2S14 is a metastable, semiconducting quaternary sulfide containing dysprosium, iron, and aluminum.
What is Al2Dy6Fe2S14 used for?
What is the band gap of Al2Dy6Fe2S14?
Is Al2Dy6Fe2S14 a metal, semiconductor, or insulator?
Is Al2Dy6Fe2S14 thermodynamically stable?
What is the crystal structure of Al2Dy6Fe2S14?
What is the density of Al2Dy6Fe2S14?
How many polymorphs of Al2Dy6Fe2S14 are known?
What elements does Al2Dy6Fe2S14 contain?
Where does the data for Al2Dy6Fe2S14 come from?
How It Compares
Within the rare-earth permanent magnets class.
Within the broader class of rare-earth magnetic materials, Al2Dy6Fe2S14 shares structural motifs with related compounds like Dy6Fe2Ga2S14 and Fe2Ga2Nd6S14. While many members of this group are explored for their magnetic ordering, this aluminum-containing variant offers a distinct electronic profile compared to its gallium-based counterparts, highlighting the sensitivity of these systems to the specific p-block element incorporated into the lattice.
Related Compounds
Other Rare-Earth Permanent Magnets 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).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
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