Nb1Re1W2
Nb1Re1W2 is a semimetallic ternary compound composed of niobium, rhenium, and tungsten that exists in a metastable state.
About Nb1Re1W2
Nb1Re1W2 is a complex ternary metallic compound composed of niobium, rhenium, and tungsten. Characterized by a near-zero-gap electronic structure, it functions as a semimetal, placing it in a unique position between traditional metallic conductors and semiconductors.
Due to its position above the thermodynamic stability hull, this material is considered metastable. Its existence across multiple reported structural configurations suggests a complex energy landscape that remains a subject of interest for fundamental materials research.
Key Properties
Cross-validated computational properties for Nb1Re1W2, 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 Nb1Re1W2, 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 | 0.03 | 5.2159 | -39.843 | 1.44 |
| P4mm (No. 99) | — | — | — | — | — |
| Pmmm (No. 47) | — | — | — | — | — |
| Cmm2 (No. 35) | — | — | — | — | — |
| R-3m (No. 166) | — | — | — | — | — |
| I4/mmm (No. 139) | — | — | — | — | — |
| R3m (No. 160) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| C2/m (No. 12) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| Immm (No. 71) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
Frequently Asked Questions
Common questions about Nb1Re1W2, answered from cross-validated data.
What is Nb1Re1W2?
Nb1Re1W2 is a semimetallic ternary compound composed of niobium, rhenium, and tungsten that exists in a metastable state.
What is the band gap of Nb1Re1W2?
Is Nb1Re1W2 a metal, semiconductor, or insulator?
Is Nb1Re1W2 thermodynamically stable?
What is the crystal structure of Nb1Re1W2?
What is the density of Nb1Re1W2?
How many polymorphs of Nb1Re1W2 are known?
What elements does Nb1Re1W2 contain?
Where does the data for Nb1Re1W2 come from?
How It Compares
As a ternary compound containing transition metals from the fifth and sixth periods, Nb1Re1W2 represents a specialized niche in materials science. Without direct structural siblings in its immediate class, it serves as an example of the diverse phase space accessible to refractory metal alloys.
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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