Mg2Ti
Mg2Ti is a metallic, metastable intermetallic compound formed from magnesium and titanium that is frequently studied for its diverse structural configurations.
About Mg2Ti
Mg2Ti is a metallic binary compound composed of magnesium and titanium. As a metallic system, it lacks a band gap and exhibits conductive properties characteristic of intermetallic phases. Its electronic structure is defined by the interaction between the alkaline earth metal and the transition metal components.
This compound is notable for its complexity in structural studies, appearing in numerous reported configurations across various databases. Because it resides above the thermodynamic hull, it is considered a metastable phase, which makes it a subject of significant interest for researchers investigating phase stability and synthesis pathways in magnesium-based alloys.
Key Properties
Cross-validated computational properties for Mg2Ti, 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.
Cross-Source DFT Agreement
How well independent DFT databases agree on the thermodynamics of Mg2Ti. Tight agreement means computed properties can be trusted without re-running calculations.
Agreement ScoreA normalized confidence score summarizing how closely independent DFT databases agree. Higher scores mean tighter cross-source agreement.
Hull SpreadDifference between the highest and lowest energy-above-hull values reported by comparable sources. Smaller spread means less thermodynamic disagreement.
Sources ComparedNumber and names of computational sources with comparable entries for this formula.
Space Group ConsensusWhether independent sources predict the same crystal symmetry for the lowest-energy structure.
Reported Structures
Lowest-energy structures reported for Mg2Ti, 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. |
|---|---|---|---|---|---|
| — | — | 0.00 | 0.0304 | 0.029 | — |
| — | — | 0.00 | 0.0800 | 0.079 | — |
| — | — | 0.00 | 0.0811 | 0.080 | — |
| — | — | 0.00 | 0.1021 | 0.101 | — |
| — | — | 0.00 | 0.1022 | 0.101 | — |
| — | — | 0.00 | 0.1072 | 0.106 | — |
| — | — | 0.00 | 0.1155 | 0.114 | — |
| — | — | 0.00 | 0.1254 | 0.124 | — |
| — | — | 0.00 | 0.1271 | 0.126 | — |
| Cmcm (No. 63) | orthorhombic | 0.00 | 0.1287 | -3.590 | 2.61 |
| P21/m (No. 11) | monoclinic | 0.00 | 0.1310 | -3.588 | 2.59 |
| — | — | 0.00 | 0.1355 | 0.134 | — |
Applications
Where Mg2Ti is used.
Frequently Asked Questions
Common questions about Mg2Ti, answered from cross-validated data.
What is Mg2Ti?
Mg2Ti is a metallic, metastable intermetallic compound formed from magnesium and titanium that is frequently studied for its diverse structural configurations.
What is Mg2Ti used for?
What is the band gap of Mg2Ti?
Is Mg2Ti a metal, semiconductor, or insulator?
Is Mg2Ti thermodynamically stable?
What is the crystal structure of Mg2Ti?
What is the density of Mg2Ti?
How many polymorphs of Mg2Ti are known?
What elements does Mg2Ti contain?
Where does the data for Mg2Ti come from?
How It Compares
As a unique binary system, Mg2Ti represents a distinct point in the magnesium-titanium phase space. Unlike more stable equilibrium phases in this binary system, Mg2Ti serves as an example of a metastable intermetallic structure that challenges standard synthesis expectations.
Data sources & attribution
- oqmd — Data from the OQMD (oqmd.org). Cite: Saal et al., JOM 65, 1501 (2013); Kirklin et al., npj Comp. Mater. 1, 15010 (2015). (CC-BY-4.0)
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
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