MnNb2Re
This compound is a complex intermetallic material composed of manganese, niobium, and rhenium. It is primarily studied in the context of materials science research to investigate its unique structural and electronic properties.
MnNbRe
Overview
Key Properties
Cross-validated computational properties for MnNb2Re, aggregated across 4 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.
0.07 eV
Range across DFT structures
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.
4.221 eV/atom
Best (lowest) across sources
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.
Above hull
3 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
5
4 databases, 3 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for MnNb2Re, 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 | 0.07 | 4.2210 | -25.039 | 0.87 |
| P2/m (No. 10) | — | — | — | — | — |
| — | — | — | — | — | 11.40 |
| — | — | — | — | — | 11.33 |
| Fm-3m (No. 225) | — | — | — | — | — |
Uses
Applications
Where MnNb2Re is used.
Materials science researchSolid-state physics studies
Reference
Frequently Asked Questions
Common questions about MnNb2Re, answered from cross-validated data.
What is MnNb2Re?
This compound is a complex intermetallic material composed of manganese, niobium, and rhenium. It is primarily studied in the context of materials science research to investigate its unique structural and electronic properties.
More questions
What is MnNb2Re used for?
MnNb2Re is used in materials science research and solid-state physics studies.
What is the band gap of MnNb2Re?
MnNb2Re has a DFT-computed band gap of 0.07 eV across 5 reported structures.
Is MnNb2Re a metal, semiconductor, or insulator?
With a near-zero band gap it behaves as a (semi)metal.
Is MnNb2Re thermodynamically stable?
MnNb2Re has a lowest energy above hull of 4.221 eV/atom (above hull).
What is the crystal structure of MnNb2Re?
The lowest-energy reported polymorph of MnNb2Re is orthorhombic symmetry, space group Immm (No. 71).
What is the density of MnNb2Re?
The computed density of the ground-state structure of MnNb2Re is 0.87 g/cm³.
How many polymorphs of MnNb2Re are known?
5 structures of MnNb2Re are reported across 4 databases, spanning 3 distinct space groups.
What elements does MnNb2Re contain?
MnNb2Re contains Mn, Nb, and Re (3 elements).
Where does the data for MnNb2Re come from?
MnNb2Re data is cross-referenced from materials_project, nomad, omat24, jarvis.
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).
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
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