Al4Sb12Sr12
Al4Sb12Sr12 is a thermodynamically stable semiconducting intermetallic compound containing aluminum, antimony, and strontium.
About Al4Sb12Sr12
Al4Sb12Sr12 is a complex intermetallic compound composed of aluminum, antimony, and strontium. As a thermodynamically stable phase located on the convex hull, it represents a robust structural arrangement of these elements that is well-supported by computational data across multiple databases. Its electronic character as a semiconductor suggests interesting potential for specialized electronic or thermoelectric applications where specific band structures are required. The material is characterized by a high degree of structural complexity, reflecting the intricate bonding environment between the light aluminum atoms and the heavier antimony and strontium constituents. This stability makes it a significant subject for researchers investigating the phase space of ternary intermetallics.
Key Properties
Cross-validated computational properties for Al4Sb12Sr12, 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 Al4Sb12Sr12, 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. |
|---|---|---|---|---|---|
| Cmce (No. 64) | orthorhombic | 0.54 | 0.0000 | -3.988 | 4.48 |
| — | — | — | — | — | 4.45 |
| Cmce (No. 64) | — | — | — | — | — |
| Cmce (No. 64) | — | — | — | — | — |
Applications
Where Al4Sb12Sr12 is used.
Frequently Asked Questions
Common questions about Al4Sb12Sr12, answered from cross-validated data.
What is Al4Sb12Sr12?
Al4Sb12Sr12 is a thermodynamically stable semiconducting intermetallic compound containing aluminum, antimony, and strontium.
What is Al4Sb12Sr12 used for?
What is the band gap of Al4Sb12Sr12?
Is Al4Sb12Sr12 a metal, semiconductor, or insulator?
Is Al4Sb12Sr12 thermodynamically stable?
What is the crystal structure of Al4Sb12Sr12?
What is the density of Al4Sb12Sr12?
How many polymorphs of Al4Sb12Sr12 are known?
What elements does Al4Sb12Sr12 contain?
Where does the data for Al4Sb12Sr12 come from?
How It Compares
As a unique ternary intermetallic, Al4Sb12Sr12 occupies a distinct niche in materials science. While many ternary systems exhibit instability or require extreme conditions to synthesize, this compound is notable for its thermodynamic stability, positioning it as a reliable candidate for further experimental characterization and potential integration into electronic device architectures.
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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