Mo1Ti1W2
Mo1Ti1W2 is a semimetallic alloy of molybdenum, titanium, and tungsten that exists in a metastable state.
About Mo1Ti1W2
Mo1Ti1W2 is a complex metallic alloy consisting of molybdenum, titanium, and tungsten. Characterized as a near-zero-gap semimetallic material, it exhibits electronic properties that bridge the behavior of metals and semiconductors, making it a subject of interest for fundamental materials science studies.
Due to its position above the thermodynamic hull, this compound is considered metastable or unstable under standard conditions. Despite this, it has been identified in numerous structural configurations, reflecting the rich compositional landscape of refractory metal alloys.
Key Properties
Cross-validated computational properties for Mo1Ti1W2, 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 Mo1Ti1W2, 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. |
|---|---|---|---|---|---|
| Immm (No. 71) | orthorhombic | 0.05 | 4.8149 | -30.703 | 1.12 |
| P4mm (No. 99) | — | — | — | — | — |
| R-3m (No. 166) | — | — | — | — | — |
| Imm2 (No. 44) | — | — | — | — | — |
| C2/m (No. 12) | — | — | — | — | — |
| Pmmm (No. 47) | — | — | — | — | — |
| F-43m (No. 216) | — | — | — | — | — |
| P2/m (No. 10) | — | — | — | — | — |
| Cmmm (No. 65) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| I4/mmm (No. 139) | — | — | — | — | — |
Applications
Where Mo1Ti1W2 is used.
Frequently Asked Questions
Common questions about Mo1Ti1W2, answered from cross-validated data.
What is Mo1Ti1W2?
Mo1Ti1W2 is a semimetallic alloy of molybdenum, titanium, and tungsten that exists in a metastable state.
What is Mo1Ti1W2 used for?
What is the band gap of Mo1Ti1W2?
Is Mo1Ti1W2 a metal, semiconductor, or insulator?
Is Mo1Ti1W2 thermodynamically stable?
What is the crystal structure of Mo1Ti1W2?
What is the density of Mo1Ti1W2?
How many polymorphs of Mo1Ti1W2 are known?
What elements does Mo1Ti1W2 contain?
Where does the data for Mo1Ti1W2 come from?
How It Compares
As a unique ternary combination of refractory elements, Mo1Ti1W2 represents a specific point in the vast phase space of molybdenum-titanium-tungsten alloys. Without direct structural siblings in this specific stoichiometry, it serves as a case study for understanding how mixing transition metals influences structural diversity and electronic 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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