Nb2Ti1W1
Nb2Ti1W1 is a semimetallic ternary transition metal compound composed of niobium, titanium, and tungsten.
About Nb2Ti1W1
Nb2Ti1W1 is a complex ternary metallic compound composed of niobium, titanium, and tungsten. It exhibits a near-zero-gap electronic character, placing it in the category of semimetallic materials that often demonstrate unique charge carrier behavior.
Due to its position above the thermodynamic hull, this phase is considered metastable. Its existence across multiple reported structures suggests that while it may be difficult to synthesize in equilibrium conditions, it remains a subject of interest for fundamental studies in transition metal alloys.
Key Properties
Cross-validated computational properties for Nb2Ti1W1, 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 Nb2Ti1W1, 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 | 4.5382 | -23.915 | 0.88 |
| P4mm (No. 99) | — | — | — | — | — |
| Pmmm (No. 47) | — | — | — | — | — |
| Fm-3m (No. 225) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| I-4m2 (No. 119) | — | — | — | — | — |
| P2/m (No. 10) | — | — | — | — | — |
| Pmm2 (No. 25) | — | — | — | — | — |
| Pmmm (No. 47) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| C2/m (No. 12) | — | — | — | — | — |
Frequently Asked Questions
Common questions about Nb2Ti1W1, answered from cross-validated data.
What is Nb2Ti1W1?
Nb2Ti1W1 is a semimetallic ternary transition metal compound composed of niobium, titanium, and tungsten.
What is the band gap of Nb2Ti1W1?
Is Nb2Ti1W1 a metal, semiconductor, or insulator?
Is Nb2Ti1W1 thermodynamically stable?
What is the crystal structure of Nb2Ti1W1?
What is the density of Nb2Ti1W1?
How many polymorphs of Nb2Ti1W1 are known?
What elements does Nb2Ti1W1 contain?
Where does the data for Nb2Ti1W1 come from?
How It Compares
As a ternary transition metal system, Nb2Ti1W1 represents a specialized composition within the broader landscape of refractory metal alloys. Unlike simpler binary systems, this compound highlights the complexity of multi-element interactions where electronic and structural stability are finely balanced.
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).
Analyze Nb2Ti1W1 in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 53 integrated data sources.
Explore the Platform →