Mo1Nb2W1
Mo1Nb2W1 is a semiconducting ternary alloy composed of molybdenum, niobium, and tungsten that exhibits significant structural diversity.
About Mo1Nb2W1
Mo1Nb2W1 is a complex metallic compound composed of molybdenum, niobium, and tungsten. As a semiconducting material, it represents a unique intersection of transition metal chemistry, drawing on the electronic properties inherent to its constitutive refractory elements.
While this compound has been documented across multiple structural configurations, it sits at an elevated energy state relative to the ground-state hull. This positioning suggests that the material is metastable, making it a subject of interest for researchers studying phase formation and structural diversity in high-entropy or multi-component alloy systems.
Key Properties
Cross-validated computational properties for Mo1Nb2W1, 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 Mo1Nb2W1, 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 | 0.11 | 4.7983 | -26.972 | 0.98 |
| Cmm2 (No. 35) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| Imm2 (No. 44) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| P2/m (No. 10) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| I-4m2 (No. 119) | — | — | — | — | — |
| Immm (No. 71) | — | — | — | — | — |
| R3m (No. 160) | — | — | — | — | — |
| F-43m (No. 216) | — | — | — | — | — |
| C2/m (No. 12) | — | — | — | — | — |
Applications
Where Mo1Nb2W1 is used.
Frequently Asked Questions
Common questions about Mo1Nb2W1, answered from cross-validated data.
What is Mo1Nb2W1?
Mo1Nb2W1 is a semiconducting ternary alloy composed of molybdenum, niobium, and tungsten that exhibits significant structural diversity.
What is Mo1Nb2W1 used for?
What is the band gap of Mo1Nb2W1?
Is Mo1Nb2W1 a metal, semiconductor, or insulator?
Is Mo1Nb2W1 thermodynamically stable?
What is the crystal structure of Mo1Nb2W1?
What is the density of Mo1Nb2W1?
How many polymorphs of Mo1Nb2W1 are known?
What elements does Mo1Nb2W1 contain?
Where does the data for Mo1Nb2W1 come from?
How It Compares
As a multi-component transition metal system, Mo1Nb2W1 serves as a distinct example of complex alloy design. Unlike simpler binary or unary systems, this compound demonstrates the structural complexity that arises when combining multiple refractory metals, highlighting the challenges and opportunities in synthesizing stable phases within this chemical space.
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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