MgRe3
This compound is an intermetallic phase composed of magnesium and rhenium. It is primarily studied in materials science research for its structural properties and potential behavior in specialized electronic or magnetic environments.
MgRe
Overview
Key Properties
Cross-validated computational properties for MgRe3, aggregated across 5 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.
Metallic / not reported
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.
0.275 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
4 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
12
5 databases, 4 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for MgRe3, 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. |
|---|---|---|---|---|---|
| Fm-3m (No. 225) | cubic | 0.00 | 0.2754 | -9.468 | 16.02 |
| P-1 (No. 2) | Triclinic | — | — | — | 11.88 |
| P-1 (No. 2) | Triclinic | — | — | — | 15.10 |
| P-1 (No. 2) | Triclinic | — | — | — | 14.03 |
| — | — | — | — | — | 15.56 |
| — | — | — | — | — | 15.67 |
| — | — | — | — | — | 15.76 |
| Pm-3m (No. 221) | — | — | — | — | — |
| Amm2 (No. 38) | Orthorhombic | — | — | — | 13.48 |
| Fm-3m (No. 225) | — | — | — | — | — |
| Amm2 (No. 38) | Orthorhombic | — | — | — | 16.17 |
| Amm2 (No. 38) | Orthorhombic | — | — | — | 14.31 |
Uses
Applications
Where MgRe3 is used.
Materials science researchSolid-state physics studies
Reference
Frequently Asked Questions
Common questions about MgRe3, answered from cross-validated data.
What is MgRe3?
This compound is an intermetallic phase composed of magnesium and rhenium. It is primarily studied in materials science research for its structural properties and potential behavior in specialized electronic or magnetic environments.
More questions
What is MgRe3 used for?
MgRe3 is used in materials science research and solid-state physics studies.
What is the band gap of MgRe3?
MgRe3 is computed to be metallic (no band gap) in the reported DFT structures.
Is MgRe3 a metal, semiconductor, or insulator?
Computed band structures report no gap, so it is metallic.
Is MgRe3 thermodynamically stable?
MgRe3 has a lowest energy above hull of 0.275 eV/atom (above hull).
What is the crystal structure of MgRe3?
The lowest-energy reported polymorph of MgRe3 is cubic symmetry, space group Fm-3m (No. 225).
What is the density of MgRe3?
The computed density of the ground-state structure of MgRe3 is 16.02 g/cm³.
How many polymorphs of MgRe3 are known?
12 structures of MgRe3 are reported across 5 databases, spanning 4 distinct space groups.
What elements does MgRe3 contain?
MgRe3 contains Mg and Re (2 elements).
Where does the data for MgRe3 come from?
MgRe3 data is cross-referenced from materials_project, mpaloe, omat24, nomad, jarvis.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
- nomad — Data from NOMAD. Cite: Draxl & Scheffler, J. Phys. Mater. 2, 036001 (2019).
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
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