Al86Dy12Mo8
Al86Dy12Mo8 is a thermodynamically stable semimetallic intermetallic compound containing aluminum, dysprosium, and molybdenum.
About Al86Dy12Mo8
Al86Dy12Mo8 is a complex intermetallic compound composed of aluminum, dysprosium, and molybdenum. It is characterized by its near-zero-gap electronic structure, which places it in the semimetallic regime, and it maintains high thermodynamic stability as it sits on the convex hull of its constituent elements. The material is notable for having multiple reported structural configurations across scientific databases, indicating a rich potential for phase exploration. Its unique combination of rare-earth and transition metal components makes it a subject of interest for fundamental studies in solid-state chemistry and materials design. By understanding its stable structural motifs, researchers can better predict how these components interact to influence electronic behavior in complex metallic systems.
Key Properties
Cross-validated computational properties for Al86Dy12Mo8, 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 Al86Dy12Mo8, 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/mcm (No. 193) | hexagonal | 0.04 | 0.0000 | -4.697 | 4.48 |
| P63/mcm (No. 193) | — | — | — | — | — |
| — | — | — | — | — | 3.09 |
Applications
Where Al86Dy12Mo8 is used.
Frequently Asked Questions
Common questions about Al86Dy12Mo8, answered from cross-validated data.
What is Al86Dy12Mo8?
Al86Dy12Mo8 is a thermodynamically stable semimetallic intermetallic compound containing aluminum, dysprosium, and molybdenum.
What is Al86Dy12Mo8 used for?
What is the band gap of Al86Dy12Mo8?
Is Al86Dy12Mo8 a metal, semiconductor, or insulator?
Is Al86Dy12Mo8 thermodynamically stable?
What is the crystal structure of Al86Dy12Mo8?
What is the density of Al86Dy12Mo8?
How many polymorphs of Al86Dy12Mo8 are known?
What elements does Al86Dy12Mo8 contain?
Where does the data for Al86Dy12Mo8 come from?
How It Compares
As a thermodynamically stable semimetallic phase, Al86Dy12Mo8 serves as a key reference point for understanding ternary aluminum-based intermetallics containing rare-earth and transition metal elements. Its position on the convex hull distinguishes it as a robust structural candidate, providing a baseline for investigating the electronic and physical properties of similar high-aluminum content alloys.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- 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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