MgReO4
MgReO4 is a thermodynamically stable, insulating oxide that maintains a robust structural presence within its chemical system.
About MgReO4
MgReO4 is a distinct inorganic oxide characterized by its wide-band-gap insulating nature. As a thermodynamically stable compound residing on the convex hull, it represents a robust phase within its chemical system, offering high structural integrity for specialized material applications.
With multiple reported structures across research databases, this material is a subject of significant interest for researchers investigating complex oxide frameworks. Its electronic profile suggests potential utility in fields requiring stable, non-conductive dielectric components.
Key Properties
Cross-validated computational properties for MgReO4, 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 MgReO4, 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. |
|---|---|---|---|---|---|
| P-3m1 (No. 164) | trigonal | 3.98 | 0.0000 | -8.409 | 4.68 |
| P-3 (No. 147) | trigonal | 3.95 | 0.0134 | -8.396 | 4.63 |
| P31m (No. 157) | trigonal | 3.88 | 0.0564 | -8.353 | 5.18 |
| Cmmm (No. 65) | orthorhombic | 0.17 | 0.1072 | -8.002 | 6.69 |
| Cmmm (No. 65) | — | — | — | — | — |
| Cmmm (No. 65) | Orthorhombic | — | — | — | 6.83 |
| Cmmm (No. 65) | Orthorhombic | — | — | — | 6.69 |
| Cmmm (No. 65) | Orthorhombic | — | — | — | 7.16 |
Applications
Where MgReO4 is used.
Frequently Asked Questions
Common questions about MgReO4, answered from cross-validated data.
What is MgReO4?
MgReO4 is a thermodynamically stable, insulating oxide that maintains a robust structural presence within its chemical system.
What is MgReO4 used for?
What is the band gap of MgReO4?
Is MgReO4 a metal, semiconductor, or insulator?
Is MgReO4 thermodynamically stable?
What is the crystal structure of MgReO4?
What is the density of MgReO4?
How many polymorphs of MgReO4 are known?
What elements does MgReO4 contain?
Where does the data for MgReO4 come from?
How It Compares
As a thermodynamically stable phase, MgReO4 serves as a foundational reference point for magnesium-rhenium-oxygen systems, demonstrating the structural diversity possible within this specific chemical composition.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
- mpaloe — Data from mpaloe.
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