TiAu2
TiAu2 is a thermodynamically stable, semiconducting intermetallic compound formed from titanium and gold.
About TiAu2
TiAu2 is a distinct intermetallic compound composed of titanium and gold. As a thermodynamically stable phase located on the convex hull, it represents a robust configuration of these elements that maintains structural integrity under standard conditions. Its electronic character is defined as semiconducting, distinguishing it from typical metallic alloys in this binary system. This material is of significant interest to researchers investigating the fundamental physics of titanium-gold interactions and the development of specialized electronic materials. The high number of reported structures across various databases highlights its complex phase space and the ongoing scientific effort to map its potential utility in high-performance applications.
Key Properties
Cross-validated computational properties for TiAu2, aggregated across 3 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 TiAu2, 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. |
|---|---|---|---|---|---|
| I4/mmm (No. 139) | tetragonal | 0.00 | 0.0000 | -38.519 | 14.48 |
| I4/mmm (No. 139) | tetragonal | 0.26 | 2.0889 | -36.430 | 2.18 |
| C2/m (No. 12) | Monoclinic | — | — | — | 14.74 |
| P-1 (No. 2) | Triclinic | — | — | — | 7.80 |
| C2 (No. 5) | Monoclinic | — | — | — | 7.79 |
| P1 (No. 1) | Triclinic | — | — | — | 7.99 |
| C2/m (No. 12) | Monoclinic | — | — | — | 9.39 |
| C2/m (No. 12) | Monoclinic | — | — | — | 8.78 |
| C2/m (No. 12) | Monoclinic | — | — | — | 8.93 |
| P-1 (No. 2) | Triclinic | — | — | — | 7.07 |
| I4/mmm (No. 139) | Tetragonal | — | — | — | 14.93 |
| C2/c (No. 15) | Monoclinic | — | — | — | 9.42 |
Applications
Where TiAu2 is used.
Frequently Asked Questions
Common questions about TiAu2, answered from cross-validated data.
What is TiAu2?
TiAu2 is a thermodynamically stable, semiconducting intermetallic compound formed from titanium and gold.
What is TiAu2 used for?
What is the band gap of TiAu2?
Is TiAu2 a metal, semiconductor, or insulator?
Is TiAu2 thermodynamically stable?
What is the crystal structure of TiAu2?
What is the density of TiAu2?
How many polymorphs of TiAu2 are known?
What elements does TiAu2 contain?
Where does the data for TiAu2 come from?
How It Compares
As a unique binary intermetallic, TiAu2 serves as a foundational reference point for understanding the phase stability and electronic behavior of titanium-gold systems, providing a stable semiconducting benchmark in a field often dominated by metallic conductors.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
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