AlSiTc2
AlSiTc2 is a metallic ternary compound of aluminum, silicon, and technetium that exhibits metastable thermodynamic properties.
About AlSiTc2
AlSiTc2 is a ternary intermetallic compound composed of aluminum, silicon, and technetium. Its electronic character is characterized by metallic behavior, as it lacks a band gap, suggesting high electrical conductivity typical of metallic phases.
Despite its metallic nature, the compound is found to be above the thermodynamic hull, indicating that it is likely unstable under standard conditions. It remains a subject of interest due to the diverse structural configurations reported across multiple databases.
Key Properties
Cross-validated computational properties for AlSiTc2, aggregated across 5 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 AlSiTc2, 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. |
|---|---|---|---|---|---|
| Immm (No. 71) | orthorhombic | 0.00 | 3.3989 | -13.973 | 0.56 |
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| P2/m (No. 10) | — | — | — | — | — |
Frequently Asked Questions
Common questions about AlSiTc2, answered from cross-validated data.
What is AlSiTc2?
AlSiTc2 is a metallic ternary compound of aluminum, silicon, and technetium that exhibits metastable thermodynamic properties.
What is the band gap of AlSiTc2?
Is AlSiTc2 a metal, semiconductor, or insulator?
Is AlSiTc2 thermodynamically stable?
What is the crystal structure of AlSiTc2?
What is the density of AlSiTc2?
How many polymorphs of AlSiTc2 are known?
What elements does AlSiTc2 contain?
Where does the data for AlSiTc2 come from?
How It Compares
As a unique ternary phase within this chemical system, AlSiTc2 serves as a point of comparison for other complex intermetallic compounds. While it lacks direct structural siblings in this context, its position above the thermodynamic hull distinguishes it as a metastable phase that highlights the synthetic challenges of integrating technetium into aluminum-silicon frameworks.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
- alexandria — Data from alexandria.
- nomad — Data from NOMAD. Cite: Draxl & Scheffler, J. Phys. Mater. 2, 036001 (2019).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
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