MoNb2Re
MoNb2Re is a semimetallic ternary alloy composed of molybdenum, niobium, and rhenium that exhibits metastable structural characteristics.
About MoNb2Re
MoNb2Re is a complex ternary metallic compound composed of molybdenum, niobium, and rhenium. It exhibits a semimetallic electronic character, placing it in a regime where charge carriers are highly mobile, characteristic of materials with a near-zero band gap. Due to its position above the thermodynamic hull, this compound is considered metastable. Its existence across multiple structural configurations suggests a complex potential energy landscape that is of significant interest for fundamental materials research.
Key Properties
Cross-validated computational properties for MoNb2Re, aggregated across 3 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 MoNb2Re, 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 | 0.08 | 4.6087 | -27.624 | 1.14 |
| Fm-3m (No. 225) | — | — | — | — | — |
| — | — | — | — | — | 11.32 |
Applications
Where MoNb2Re is used.
Frequently Asked Questions
Common questions about MoNb2Re, answered from cross-validated data.
What is MoNb2Re?
MoNb2Re is a semimetallic ternary alloy composed of molybdenum, niobium, and rhenium that exhibits metastable structural characteristics.
What is MoNb2Re used for?
What is the band gap of MoNb2Re?
Is MoNb2Re a metal, semiconductor, or insulator?
Is MoNb2Re thermodynamically stable?
What is the crystal structure of MoNb2Re?
What is the density of MoNb2Re?
How many polymorphs of MoNb2Re are known?
What elements does MoNb2Re contain?
Where does the data for MoNb2Re come from?
How It Compares
As a unique ternary combination of refractory transition metals, MoNb2Re serves as a specialized case study in the behavior of complex metallic alloys. Unlike more common binary intermetallics, this material occupies a distinct structural space, representing the challenges of synthesizing and stabilizing multi-element systems that do not naturally reside at the lowest energy state.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- nomad — Data from NOMAD. Cite: Draxl & Scheffler, J. Phys. Mater. 2, 036001 (2019).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
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