MnReO4
Manganese perrhenate is an inorganic chemical compound consisting of manganese and the perrhenate anion. It is primarily studied for its structural properties and potential roles in solid-state chemistry research.
Overview
Key Properties
Cross-validated computational properties for MnReO4, 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.
3.07–3.14 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.
0.000 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.
On hull (stable)
2 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
8
3 databases, 3 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for MnReO4, 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-3 (No. 147) | trigonal | 3.14 | 0.0000 | -8.903 | 4.48 |
| P-3m1 (No. 164) | trigonal | 3.07 | 0.0010 | -8.902 | 4.59 |
| P2/c (No. 13) | monoclinic | 0.00 | 0.0594 | -8.963 | 7.08 |
| P2/c (No. 13) | — | — | — | — | — |
| P2/c (No. 13) | — | — | — | — | — |
| P2/c (No. 13) | Monoclinic | — | — | — | 7.08 |
| P2/c (No. 13) | Monoclinic | — | — | — | 7.34 |
| P2/c (No. 13) | Monoclinic | — | — | — | 7.67 |
Uses
Applications
Where MnReO4 is used.
Solid-state researchCatalysis studiesMaterials science development
Reference
Frequently Asked Questions
Common questions about MnReO4, answered from cross-validated data.
What is MnReO4?
Manganese perrhenate is an inorganic chemical compound consisting of manganese and the perrhenate anion. It is primarily studied for its structural properties and potential roles in solid-state chemistry research.
More questions
What is MnReO4 used for?
MnReO4 is used in solid-state research, catalysis studies, and materials science development.
What is the band gap of MnReO4?
MnReO4 has a DFT-computed band gap of 3.07–3.14 eV across 8 reported structures.
Is MnReO4 a metal, semiconductor, or insulator?
With a wide band gap up to 3.14 eV it is an insulator / wide-band-gap material.
Is MnReO4 thermodynamically stable?
Yes — MnReO4 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of MnReO4?
The lowest-energy reported polymorph of MnReO4 is trigonal symmetry, space group P-3 (No. 147).
What is the density of MnReO4?
The computed density of the ground-state structure of MnReO4 is 4.48 g/cm³.
How many polymorphs of MnReO4 are known?
8 structures of MnReO4 are reported across 3 databases, spanning 3 distinct space groups.
What elements does MnReO4 contain?
MnReO4 contains Mn, O, and Re (3 elements).
Where does the data for MnReO4 come from?
MnReO4 data is cross-referenced from materials_project, jarvis, mpaloe.
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Related Compounds
Other Oxide Oxygen-Evolution Catalysts in the database.
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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