Mo2Ta1Ti1
Mo2Ta1Ti1 is a semimetallic ternary compound composed of molybdenum, tantalum, and titanium that exhibits complex structural diversity.
About Mo2Ta1Ti1
Mo2Ta1Ti1 is a complex ternary compound composed of molybdenum, tantalum, and titanium. Its electronic character is defined as a near-zero-gap semimetal, placing it in a unique position between metallic conductors and semiconducting materials.
While this compound has been identified across multiple structural configurations in computational databases, it is characterized as being above the thermodynamic hull. This suggests that the material may be metastable or unstable under standard conditions, making it a subject of interest for fundamental studies in phase stability and materials design.
Key Properties
Cross-validated computational properties for Mo2Ta1Ti1, 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.
Frequently Asked Questions
Common questions about Mo2Ta1Ti1, answered from cross-validated data.
What is Mo2Ta1Ti1?
Mo2Ta1Ti1 is a semimetallic ternary compound composed of molybdenum, tantalum, and titanium that exhibits complex structural diversity.
What is the band gap of Mo2Ta1Ti1?
Is Mo2Ta1Ti1 a metal, semiconductor, or insulator?
Is Mo2Ta1Ti1 thermodynamically stable?
How many polymorphs of Mo2Ta1Ti1 are known?
What elements does Mo2Ta1Ti1 contain?
Where does the data for Mo2Ta1Ti1 come from?
How It Compares
As a unique ternary system, Mo2Ta1Ti1 represents an exploratory phase in the study of transition metal alloys. Without direct structural siblings in this specific class, it serves as a distinct example of how combining refractory elements like molybdenum and tantalum with titanium influences electronic density near the Fermi level.
Data sources & attribution
- latticegraph — Lattice Graph Materials Intelligence Platform
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