Mo1Re2Ti1
Mo1Re2Ti1 is a thermodynamically stable, semiconducting intermetallic compound composed of molybdenum, rhenium, and titanium.
About Mo1Re2Ti1
Mo1Re2Ti1 is a complex intermetallic compound characterized by its semiconducting electronic nature. As a thermodynamically stable phase located on the convex hull, it represents a robust structural configuration that maintains integrity under standard conditions.
This material is notable for its structural diversity, supported by numerous reported configurations across crystallographic databases. Its unique combination of molybdenum, rhenium, and titanium suggests potential utility in specialized electronic or structural applications where stable, non-metallic behavior is required.
Key Properties
Cross-validated computational properties for Mo1Re2Ti1, 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 Mo1Re2Ti1, 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. |
|---|---|---|---|---|---|
| Fm-3m (No. 225) | cubic | 0.00 | 0.0000 | -36.311 | 14.17 |
| Immm (No. 71) | orthorhombic | 0.10 | 4.6870 | -31.624 | 0.84 |
| P4/mmm (No. 123) | — | — | — | — | — |
| Fm-3m (No. 225) | — | — | — | — | — |
| Immm (No. 71) | — | — | — | — | — |
| Cmm2 (No. 35) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
| Cmmm (No. 65) | — | — | — | — | — |
| Immm (No. 71) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| Pm (No. 6) | — | — | — | — | — |
Applications
Where Mo1Re2Ti1 is used.
Frequently Asked Questions
Common questions about Mo1Re2Ti1, answered from cross-validated data.
What is Mo1Re2Ti1?
Mo1Re2Ti1 is a thermodynamically stable, semiconducting intermetallic compound composed of molybdenum, rhenium, and titanium.
What is Mo1Re2Ti1 used for?
What is the band gap of Mo1Re2Ti1?
Is Mo1Re2Ti1 a metal, semiconductor, or insulator?
Is Mo1Re2Ti1 thermodynamically stable?
What is the crystal structure of Mo1Re2Ti1?
What is the density of Mo1Re2Ti1?
How many polymorphs of Mo1Re2Ti1 are known?
What elements does Mo1Re2Ti1 contain?
Where does the data for Mo1Re2Ti1 come from?
How It Compares
As a distinct intermetallic phase, Mo1Re2Ti1 occupies a unique position in materials science, serving as a stable building block within the broader landscape of transition metal alloys. Without direct structural analogs in its immediate class, it stands as a primary subject for investigating how the interplay of refractory elements influences semiconducting behavior in complex metallic systems.
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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