MgCr2O4
Magnesium chromite · Picrochromite
Magnesium chromite is a highly stable, insulating spinel oxide used primarily as a catalyst and refractory material in industrial applications.
About Magnesium chromite
Magnesium chromite is a thermodynamically stable spinel oxide that maintains structural integrity under demanding conditions. As a wide-gap insulator, it serves as a robust framework for catalytic processes where electronic insulation is required to prevent unwanted charge transfer during surface reactions. Its prevalence in structural databases reflects its reliability and importance in materials science research. The compound is frequently utilized in high-temperature environments where its chemical stability ensures longevity and consistent performance. By providing a stable crystalline lattice, it acts as an effective support or active phase in various industrial oxidation and reduction cycles, demonstrating the versatility of the spinel structure in catalyst design.
Key Properties
Cross-validated computational properties for Magnesium chromite, 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.
Cross-Source DFT Agreement
How well independent DFT databases agree on the thermodynamics of MgCr2O4. Tight agreement means computed properties can be trusted without re-running calculations.
Agreement ScoreA normalized confidence score summarizing how closely independent DFT databases agree. Higher scores mean tighter cross-source agreement.
Hull SpreadDifference between the highest and lowest energy-above-hull values reported by comparable sources. Smaller spread means less thermodynamic disagreement.
Sources ComparedNumber and names of computational sources with comparable entries for this formula.
Space Group ConsensusWhether independent sources predict the same crystal symmetry for the lowest-energy structure.
Reported Structures
Lowest-energy structures reported for MgCr2O4, 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. |
|---|---|---|---|---|---|
| Fd-3m (No. 227) | cubic | 2.84 | 0.0000 | -8.447 | 4.37 |
| Fd-3m (No. 227) | cubic | 0.81 | 0.0000 | -2.416 | — |
| — | — | 2.72 | 0.0002 | -2.688 | — |
| — | — | 2.75 | 0.0023 | -2.686 | — |
| — | — | 2.77 | 0.0027 | -2.685 | — |
| Fd-3m (No. 227) | cubic | 0.89 | 0.0129 | -2.404 | — |
| Fd-3m (No. 227) | cubic | 0.89 | 0.0129 | -2.404 | — |
| Cm (No. 8) | monoclinic | 0.69 | 0.0404 | -8.407 | 4.38 |
| P3m1 (No. 156) | trigonal | 1.15 | 0.0449 | -8.402 | 4.20 |
| P3m1 (No. 156) | trigonal | 0.91 | 0.0842 | -8.363 | 4.18 |
| R3m (No. 160) | trigonal | 0.00 | 0.1090 | -2.307 | — |
| Cmcm (No. 63) | orthorhombic | 0.34 | 0.1094 | -2.307 | — |
Synthesis Routes
Literature-extracted synthesis procedures targeting MgCr2O4.
Applications
Where Magnesium chromite is used.
Frequently Asked Questions
Common questions about Magnesium chromite, answered from cross-validated data.
What is MgCr2O4?
Magnesium chromite is a highly stable, insulating spinel oxide used primarily as a catalyst and refractory material in industrial applications.
What is MgCr2O4 used for?
What is the band gap of MgCr2O4?
Is MgCr2O4 a metal, semiconductor, or insulator?
Is MgCr2O4 thermodynamically stable?
What is the crystal structure of MgCr2O4?
What is the density of MgCr2O4?
How many polymorphs of MgCr2O4 are known?
How is MgCr2O4 synthesized?
What elements does MgCr2O4 contain?
Where does the data for MgCr2O4 come from?
How It Compares
Within the spinel oxide catalysts class.
Within the diverse family of spinel and related oxide catalysts, MgCr2O4 stands out for its exceptional thermodynamic stability compared to more reactive transition metal oxides like CuO or NiO. While MgAl2O4 shares a similar spinel architecture and insulating character, the inclusion of chromium in the lattice of MgCr2O4 imparts distinct catalytic properties that are better suited for specific redox applications than the more inert aluminate counterparts.
Related Compounds
Other Spinel Oxide Catalysts in the database.
Data sources & attribution
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
- oqmd — Data from the OQMD (oqmd.org). Cite: Saal et al., JOM 65, 1501 (2013); Kirklin et al., npj Comp. Mater. 1, 15010 (2015). (CC-BY-4.0)
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