Au1Cu2Ti1
Au1Cu2Ti1 is a semimetallic ternary intermetallic compound composed of gold, copper, and titanium that exhibits significant structural complexity.
About Au1Cu2Ti1
Au1Cu2Ti1 is a complex ternary intermetallic compound composed of gold, copper, and titanium. It exhibits a semimetallic electronic character, placing it in a unique position between metallic conductors and insulating materials.
Due to its position above the thermodynamic hull, this compound is considered metastable or unstable under standard conditions. Its structural complexity is highlighted by the significant number of reported configurations found in materials databases, suggesting a rich landscape of potential atomic arrangements.
Key Properties
Cross-validated computational properties for Au1Cu2Ti1, aggregated across 2 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 Au1Cu2Ti1, 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 | 0.02 | 2.2753 | -2.781 | 1.55 |
| P4mm (No. 99) | — | — | — | — | — |
| Cmmm (No. 65) | — | — | — | — | — |
| Pmm2 (No. 25) | — | — | — | — | — |
| Fm-3m (No. 225) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
| Cm (No. 8) | — | — | — | — | — |
| C2/m (No. 12) | — | — | — | — | — |
| Pmm2 (No. 25) | — | — | — | — | — |
| P2/m (No. 10) | — | — | — | — | — |
| P2/m (No. 10) | — | — | — | — | — |
Frequently Asked Questions
Common questions about Au1Cu2Ti1, answered from cross-validated data.
What is Au1Cu2Ti1?
Au1Cu2Ti1 is a semimetallic ternary intermetallic compound composed of gold, copper, and titanium that exhibits significant structural complexity.
What is the band gap of Au1Cu2Ti1?
Is Au1Cu2Ti1 a metal, semiconductor, or insulator?
Is Au1Cu2Ti1 thermodynamically stable?
What is the crystal structure of Au1Cu2Ti1?
What is the density of Au1Cu2Ti1?
How many polymorphs of Au1Cu2Ti1 are known?
What elements does Au1Cu2Ti1 contain?
Where does the data for Au1Cu2Ti1 come from?
How It Compares
As a unique ternary phase, Au1Cu2Ti1 represents a specialized study in the interplay of noble metals and transition elements, serving as a distinct example of complex intermetallic formation where thermodynamic stability is balanced against structural diversity.
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).
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