Al86Er12Mo8
Al86Er12Mo8 is a stable, semimetallic intermetallic compound containing aluminum, erbium, and molybdenum.
About Al86Er12Mo8
Al86Er12Mo8 is a complex intermetallic compound composed of aluminum, erbium, and molybdenum. It is recognized for its thermodynamic stability, existing directly on the convex hull, which indicates a robust structural arrangement under standard conditions.
As a semimetallic material with a near-zero electronic gap, this compound occupies a distinct niche in materials science. Its structural characteristics, supported by multiple reported configurations across databases, make it a subject of interest for researchers studying metallic phase stability and electronic behavior.
Key Properties
Cross-validated computational properties for Al86Er12Mo8, 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 Al86Er12Mo8, 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 | 0.02 | 0.0000 | -4.686 | 4.55 |
| — | — | — | — | — | 3.03 |
| P63/mcm (No. 193) | — | — | — | — | — |
Frequently Asked Questions
Common questions about Al86Er12Mo8, answered from cross-validated data.
What is Al86Er12Mo8?
Al86Er12Mo8 is a stable, semimetallic intermetallic compound containing aluminum, erbium, and molybdenum.
What is the band gap of Al86Er12Mo8?
Is Al86Er12Mo8 a metal, semiconductor, or insulator?
Is Al86Er12Mo8 thermodynamically stable?
What is the crystal structure of Al86Er12Mo8?
What is the density of Al86Er12Mo8?
How many polymorphs of Al86Er12Mo8 are known?
What elements does Al86Er12Mo8 contain?
Where does the data for Al86Er12Mo8 come from?
How It Compares
As a unique intermetallic phase, Al86Er12Mo8 serves as a representative example of how ternary alloying with rare-earth and transition metal elements can produce thermodynamically favored, stable configurations that deviate from simple binary systems.
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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