Al3Cu3Ti3
Al3Cu3Ti3 has a DFT band gap of Metallic / not reported across 57 reported structures in 4 space groups. Cross-validated across 4 computational databases.
At a glance
Key Properties
Cross-validated computational properties for Al3Cu3Ti3, aggregated across 4 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.
0.044 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.
Metastable
2 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
57
4 databases, 4 space groups
Reference
Frequently Asked Questions
Common questions about Al3Cu3Ti3, answered from cross-validated data.
What is the band gap of Al3Cu3Ti3?
Al3Cu3Ti3 is computed to be metallic (no band gap) in the reported DFT structures.
More questions
Is Al3Cu3Ti3 a metal, semiconductor, or insulator?
Computed band structures report no gap, so it is metallic.
Is Al3Cu3Ti3 thermodynamically stable?
Al3Cu3Ti3 has a lowest energy above hull of 0.044 eV/atom (metastable).
How many polymorphs of Al3Cu3Ti3 are known?
57 structures of Al3Cu3Ti3 are reported across 4 databases, spanning 4 distinct space groups.
What elements does Al3Cu3Ti3 contain?
Al3Cu3Ti3 contains Al, Cu, and Ti (3 elements).
Where does the data for Al3Cu3Ti3 come from?
Al3Cu3Ti3 data is cross-referenced from latticegraph.
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Related Compounds
Other Heusler Alloys in the database.
Data sources & attribution
- latticegraph — Lattice Graph Materials Intelligence Platform
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