Cu1Ga1Ti2
Cu1Ga1Ti2 is a semimetallic Heusler alloy that exists as a metastable phase within a large family of titanium-based intermetallic compounds.
About Cu1Ga1Ti2
Cu1Ga1Ti2 is a complex intermetallic compound belonging to the class of Heusler alloys. It exhibits a near-zero-gap electronic character, placing it in the category of semimetallic materials that often bridge the gap between conductive metals and semiconducting solids.
While this material has been identified across multiple structural configurations, it is characterized as being thermodynamically unstable relative to the ground state. Its existence as a metastable phase provides valuable insights into the formation energy landscapes of ternary and quaternary titanium-based systems.
Key Properties
Cross-validated computational properties for Cu1Ga1Ti2, 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 Cu1Ga1Ti2, 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 | 2.9254 | -3.119 | 0.47 |
| Cmmm (No. 65) | — | — | — | — | — |
| Pmmm (No. 47) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| Pm (No. 6) | — | — | — | — | — |
| Pmm2 (No. 25) | — | — | — | — | — |
| C2/m (No. 12) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
Applications
Where Cu1Ga1Ti2 is used.
Frequently Asked Questions
Common questions about Cu1Ga1Ti2, answered from cross-validated data.
What is Cu1Ga1Ti2?
Cu1Ga1Ti2 is a semimetallic Heusler alloy that exists as a metastable phase within a large family of titanium-based intermetallic compounds.
What is Cu1Ga1Ti2 used for?
What is the band gap of Cu1Ga1Ti2?
Is Cu1Ga1Ti2 a metal, semiconductor, or insulator?
Is Cu1Ga1Ti2 thermodynamically stable?
What is the crystal structure of Cu1Ga1Ti2?
What is the density of Cu1Ga1Ti2?
How many polymorphs of Cu1Ga1Ti2 are known?
What elements does Cu1Ga1Ti2 contain?
Where does the data for Cu1Ga1Ti2 come from?
How It Compares
Within the heusler alloys class.
Within the diverse family of Heusler alloys, Cu1Ga1Ti2 occupies a distinct position compared to more stable, well-characterized members like Ni1Sn1Ti1. While many siblings in this group are engineered for their robust magnetic or thermoelectric properties, this specific copper-gallium-titanium composition is notable for its energetic position above the hull, highlighting the structural diversity and complexity inherent in the broader Heusler alloy class.
Related Compounds
Other Heusler Alloys in the database.
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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