Nb2Re1W1
Nb2Re1W1 is a semiconducting ternary compound of niobium, rhenium, and tungsten characterized by its metastable nature.
About Nb2Re1W1
Nb2Re1W1 is a complex ternary intermetallic compound composed of niobium, rhenium, and tungsten. As a semiconducting material, it represents a unique combination of transition metals that warrants further investigation into its electronic properties and structural arrangements.
Given its position above the thermodynamic hull, this compound is considered metastable, suggesting that its synthesis may require specific kinetic control or non-equilibrium conditions. Its existence across multiple reported structures highlights the structural diversity possible within this specific elemental combination.
Key Properties
Cross-validated computational properties for Nb2Re1W1, 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 Nb2Re1W1, 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 | 4.8705 | -33.539 | 1.18 |
| Imm2 (No. 44) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| Immm (No. 71) | — | — | — | — | — |
| Cmm2 (No. 35) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
| P2/m (No. 10) | — | — | — | — | — |
| Fm-3m (No. 225) | — | — | — | — | — |
| C2/m (No. 12) | — | — | — | — | — |
| R-3m (No. 166) | — | — | — | — | — |
| Imm2 (No. 44) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
Frequently Asked Questions
Common questions about Nb2Re1W1, answered from cross-validated data.
What is Nb2Re1W1?
Nb2Re1W1 is a semiconducting ternary compound of niobium, rhenium, and tungsten characterized by its metastable nature.
What is the band gap of Nb2Re1W1?
Is Nb2Re1W1 a metal, semiconductor, or insulator?
Is Nb2Re1W1 thermodynamically stable?
What is the crystal structure of Nb2Re1W1?
What is the density of Nb2Re1W1?
How many polymorphs of Nb2Re1W1 are known?
What elements does Nb2Re1W1 contain?
Where does the data for Nb2Re1W1 come from?
How It Compares
As a unique ternary phase, Nb2Re1W1 functions as a specialized subject of study within the broader landscape of transition metal alloys, representing a distinct structural configuration that does not currently have direct, closely related siblings in this dataset.
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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