Ti3Zn
Ti3Zn is a metallic intermetallic compound formed from titanium and zinc that is considered a promising candidate for synthesis.
About Ti3Zn
Ti3Zn is a metallic intermetallic compound composed of titanium and zinc. Its electronic structure is characterized by a lack of a band gap, consistent with its metallic nature and typical behavior for transition metal-based alloys.
As a near-hull compound, Ti3Zn is considered a viable candidate for experimental synthesis. Its significant presence in structural databases highlights its importance as a subject of ongoing study in materials science and metallurgy.
Key Properties
Cross-validated computational properties for Ti3Zn, 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.
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 Ti3Zn, 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. |
|---|---|---|---|---|---|
| Pm-3m (No. 221) | cubic | 0.00 | 0.0105 | -6.344 | 5.41 |
| I4/mmm (No. 139) | tetragonal | 0.00 | 0.0112 | -6.343 | 5.37 |
| P1 (No. 1) | Triclinic | — | — | — | 5.54 |
| Pm-3m (No. 221) | — | — | — | — | — |
| Cm (No. 8) | Monoclinic | — | — | — | 6.69 |
| Cmcm (No. 63) | Orthorhombic | — | — | — | 4.54 |
| Pmm2 (No. 25) | Orthorhombic | — | — | — | 4.53 |
| C2/c (No. 15) | Monoclinic | — | — | — | 4.27 |
| Amm2 (No. 38) | Orthorhombic | — | — | — | 4.88 |
| Cm (No. 8) | Monoclinic | — | — | — | 4.27 |
| Cm (No. 8) | Monoclinic | — | — | — | 5.26 |
| Amm2 (No. 38) | Orthorhombic | — | — | — | 4.04 |
Applications
Where Ti3Zn is used.
Frequently Asked Questions
Common questions about Ti3Zn, answered from cross-validated data.
What is Ti3Zn?
Ti3Zn is a metallic intermetallic compound formed from titanium and zinc that is considered a promising candidate for synthesis.
What is Ti3Zn used for?
What is the band gap of Ti3Zn?
Is Ti3Zn a metal, semiconductor, or insulator?
Is Ti3Zn thermodynamically stable?
What is the crystal structure of Ti3Zn?
What is the density of Ti3Zn?
How many polymorphs of Ti3Zn are known?
What elements does Ti3Zn contain?
Where does the data for Ti3Zn come from?
How It Compares
As an intermetallic phase, Ti3Zn represents a specific stoichiometry within the titanium-zinc binary system, serving as a distinct structural configuration that researchers investigate to understand the phase stability and alloying behavior of titanium-rich materials.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
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