MgCrO4
Magnesium chromate · Magnesium chromate(VI)
Magnesium chromate is a stable, semiconducting oxide material frequently employed in catalytic and industrial chemical applications.
About Magnesium chromate
Magnesium chromate is a notable member of the spinel oxide catalyst family, characterized by its semiconducting electronic structure. Its position on the thermodynamic convex hull highlights its inherent stability, making it a reliable candidate for complex catalytic reactions where structural integrity is paramount. The compound is widely recognized for its role in specialized industrial applications. Its ability to maintain stability under operational conditions allows it to function effectively in environments where other, less stable oxides might degrade, facilitating essential chemical transformations.
Key Properties
Cross-validated computational properties for Magnesium chromate, 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 MgCrO4, 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. |
|---|---|---|---|---|---|
| Cmcm (No. 63) | orthorhombic | 2.40 | 0.0000 | -7.365 | 3.22 |
| C2/m (No. 12) | monoclinic | 2.36 | 0.0106 | -7.354 | 3.00 |
| Cmcm (No. 63) | Orthorhombic | — | — | — | 3.05 |
| Cmcm (No. 63) | Orthorhombic | — | — | — | 3.28 |
| Cmcm (No. 63) | Orthorhombic | — | — | — | 3.12 |
| C2/m (No. 12) | Monoclinic | — | — | — | 3.07 |
| Cmcm (No. 63) | — | — | — | — | — |
| C2/m (No. 12) | Monoclinic | — | — | — | 3.00 |
| C2/m (No. 12) | Monoclinic | — | — | — | 3.23 |
Applications
Where Magnesium chromate is used.
Frequently Asked Questions
Common questions about Magnesium chromate, answered from cross-validated data.
What is MgCrO4?
Magnesium chromate is a stable, semiconducting oxide material frequently employed in catalytic and industrial chemical applications.
What is MgCrO4 used for?
What is the band gap of MgCrO4?
Is MgCrO4 a metal, semiconductor, or insulator?
Is MgCrO4 thermodynamically stable?
What is the crystal structure of MgCrO4?
What is the density of MgCrO4?
How many polymorphs of MgCrO4 are known?
What elements does MgCrO4 contain?
Where does the data for MgCrO4 come from?
How It Compares
Within the spinel oxide catalysts class.
Within the diverse group of spinel and transition metal oxides, MgCrO4 stands out for its specific electronic properties compared to common binary oxides like NiO or ZnO. While materials such as MgAl2O4 are frequently utilized for their structural robustness, MgCrO4 offers a distinct catalytic profile that bridges the gap between simple binary systems and more complex perovskite-structured catalysts like LaMnO3.
Related Compounds
Other Spinel Oxide Catalysts in the database.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
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