Al2Cu2Ti2
Al2Cu2Ti2 has a DFT band gap of Metallic / not reported across 28 reported structures in 6 space groups. Cross-validated across 5 computational databases.
At a glance
Key Properties
Cross-validated computational properties for Al2Cu2Ti2, 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.
0.044 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
3 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
28
5 databases, 6 space groups
Reference
Frequently Asked Questions
Common questions about Al2Cu2Ti2, answered from cross-validated data.
What is the band gap of Al2Cu2Ti2?
Al2Cu2Ti2 is computed to be metallic (no band gap) in the reported DFT structures.
More questions
Is Al2Cu2Ti2 a metal, semiconductor, or insulator?
Computed band structures report no gap, so it is metallic.
Is Al2Cu2Ti2 thermodynamically stable?
Al2Cu2Ti2 has a lowest energy above hull of 0.044 eV/atom (metastable).
How many polymorphs of Al2Cu2Ti2 are known?
28 structures of Al2Cu2Ti2 are reported across 5 databases, spanning 6 distinct space groups.
What elements does Al2Cu2Ti2 contain?
Al2Cu2Ti2 contains Al, Cu, and Ti (3 elements).
Where does the data for Al2Cu2Ti2 come from?
Al2Cu2Ti2 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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