Mo1Ti2W1
Mo1Ti2W1 is a semimetallic ternary alloy composed of molybdenum, titanium, and tungsten that typically exists as a metastable phase.
About Mo1Ti2W1
Mo1Ti2W1 is a complex metallic phase composed of molybdenum, titanium, and tungsten. As a semimetallic material with a near-zero band gap, it exhibits electronic properties characteristic of transition metal alloys that bridge the gap between metallic and semiconducting behavior.
While this compound has been identified across numerous structural configurations, its position above the thermodynamic hull suggests it is a metastable phase. Its existence in multiple reported structures highlights the complex landscape of refractory metal combinations, which are often investigated for their potential in specialized high-temperature or structural applications.
Key Properties
Cross-validated computational properties for Mo1Ti2W1, 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 Mo1Ti2W1, 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 | 0.06 | 4.2948 | -21.604 | 0.81 |
| Pmm2 (No. 25) | — | — | — | — | — |
| Imm2 (No. 44) | — | — | — | — | — |
| Pmmm (No. 47) | — | — | — | — | — |
| P2/m (No. 10) | — | — | — | — | — |
| R3m (No. 160) | — | — | — | — | — |
| Pmmm (No. 47) | — | — | — | — | — |
| R-3m (No. 166) | — | — | — | — | — |
| Cmmm (No. 65) | — | — | — | — | — |
| Fm-3m (No. 225) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
Applications
Where Mo1Ti2W1 is used.
Frequently Asked Questions
Common questions about Mo1Ti2W1, answered from cross-validated data.
What is Mo1Ti2W1?
Mo1Ti2W1 is a semimetallic ternary alloy composed of molybdenum, titanium, and tungsten that typically exists as a metastable phase.
What is Mo1Ti2W1 used for?
What is the band gap of Mo1Ti2W1?
Is Mo1Ti2W1 a metal, semiconductor, or insulator?
Is Mo1Ti2W1 thermodynamically stable?
What is the crystal structure of Mo1Ti2W1?
What is the density of Mo1Ti2W1?
How many polymorphs of Mo1Ti2W1 are known?
What elements does Mo1Ti2W1 contain?
Where does the data for Mo1Ti2W1 come from?
How It Compares
As a unique ternary combination of refractory elements, Mo1Ti2W1 represents a specialized study in phase stability. Unlike more common binary transition metal alloys, this compound serves as a case study in the structural diversity possible when balancing molybdenum, titanium, and tungsten within a single lattice.
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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