Al3Tc2
This is an intermetallic compound composed of aluminum and technetium. It is primarily studied in the context of fundamental materials science research regarding the structural properties of aluminides containing transition metals.
AlTc
Overview
Key Properties
Cross-validated computational properties for Al3Tc2, 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.
Metallic / not reported
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.
0.227 eV/atom
Best (lowest) across sources
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.
Above hull
4 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
25
5 databases, 11 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for Al3Tc2, 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. |
|---|---|---|---|---|---|
| P-3m1 (No. 164) | trigonal | 0.00 | 0.2267 | -14.632 | 5.46 |
| P-3m1 (No. 164) | — | — | — | — | — |
| Cm (No. 8) | Monoclinic | — | — | — | 5.03 |
| Cm (No. 8) | Monoclinic | — | — | — | 5.34 |
| Cm (No. 8) | Monoclinic | — | — | — | 4.32 |
| P-4m2 (No. 115) | Tetragonal | — | — | — | 5.52 |
| P-4m2 (No. 115) | Tetragonal | — | — | — | 5.05 |
| C2 (No. 5) | Monoclinic | — | — | — | 6.06 |
| C2/m (No. 12) | Monoclinic | — | — | — | 5.20 |
| P-1 (No. 2) | Triclinic | — | — | — | 5.15 |
| P-1 (No. 2) | Triclinic | — | — | — | 4.90 |
| R32 (No. 155) | Trigonal | — | — | — | 5.08 |
Uses
Applications
Where Al3Tc2 is used.
Materials science researchSolid-state chemistry studies
Reference
Frequently Asked Questions
Common questions about Al3Tc2, answered from cross-validated data.
What is Al3Tc2?
This is an intermetallic compound composed of aluminum and technetium. It is primarily studied in the context of fundamental materials science research regarding the structural properties of aluminides containing transition metals.
More questions
What is Al3Tc2 used for?
Al3Tc2 is used in materials science research and solid-state chemistry studies.
What is the band gap of Al3Tc2?
Al3Tc2 is computed to be metallic (no band gap) in the reported DFT structures.
Is Al3Tc2 a metal, semiconductor, or insulator?
Computed band structures report no gap, so it is metallic.
Is Al3Tc2 thermodynamically stable?
Al3Tc2 has a lowest energy above hull of 0.227 eV/atom (above hull).
What is the crystal structure of Al3Tc2?
The lowest-energy reported polymorph of Al3Tc2 is trigonal symmetry, space group P-3m1 (No. 164).
What is the density of Al3Tc2?
The computed density of the ground-state structure of Al3Tc2 is 5.46 g/cm³.
How many polymorphs of Al3Tc2 are known?
25 structures of Al3Tc2 are reported across 5 databases, spanning 11 distinct space groups.
What elements does Al3Tc2 contain?
Al3Tc2 contains Al and Tc (2 elements).
Where does the data for Al3Tc2 come from?
Al3Tc2 data is cross-referenced from materials_project, aflow, mpaloe, jarvis, omat24.
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).
- mpaloe — Data from mpaloe.
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
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