MgCr4O12
MgCr4O12 is a semiconducting spinel oxide that serves as a complex, metastable material within the broader family of transition metal oxide catalysts.
About MgCr4O12
MgCr4O12 is a semiconducting material categorized within the spinel oxide catalyst family. Its complex structural arrangement, characterized by multiple reported configurations, highlights the intricate coordination chemistry possible within chromium-based oxide systems.
While its thermodynamic profile suggests it exists above the hull, this compound remains a subject of interest for understanding metastable phases in catalytic materials. Its potential utility is tied to its electronic character, which influences its behavior in various chemical environments.
Key Properties
Cross-validated computational properties for MgCr4O12, aggregated across 2 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 MgCr4O12, 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. |
|---|---|---|---|---|---|
| C2 (No. 5) | monoclinic | 1.21 | 0.1044 | -7.626 | 2.70 |
| C2 (No. 5) | monoclinic | 1.44 | 0.1190 | -7.612 | 2.21 |
| P1 (No. 1) | triclinic | 1.40 | 0.1253 | -7.605 | 2.38 |
| P1 (No. 1) | triclinic | 0.00 | 0.1557 | -7.575 | 2.38 |
| P1 (No. 1) | triclinic | 0.10 | 0.1610 | -7.570 | 2.23 |
| Pm (No. 6) | monoclinic | 0.01 | 0.2533 | -7.477 | 2.03 |
| P1 (No. 1) | Triclinic | — | — | — | 2.59 |
| P1 (No. 1) | Triclinic | — | — | — | 2.28 |
| P1 (No. 1) | Triclinic | — | — | — | 2.43 |
| P1 (No. 1) | Triclinic | — | — | — | 2.23 |
| P1 (No. 1) | Triclinic | — | — | — | 2.44 |
| P1 (No. 1) | Triclinic | — | — | — | 2.38 |
Applications
Where MgCr4O12 is used.
Frequently Asked Questions
Common questions about MgCr4O12, answered from cross-validated data.
What is MgCr4O12?
MgCr4O12 is a semiconducting spinel oxide that serves as a complex, metastable material within the broader family of transition metal oxide catalysts.
What is MgCr4O12 used for?
What is the band gap of MgCr4O12?
Is MgCr4O12 a metal, semiconductor, or insulator?
Is MgCr4O12 thermodynamically stable?
What is the crystal structure of MgCr4O12?
What is the density of MgCr4O12?
How many polymorphs of MgCr4O12 are known?
What elements does MgCr4O12 contain?
Where does the data for MgCr4O12 come from?
How It Compares
Within the spinel oxide catalysts class.
Unlike the highly stable and widely utilized MgAl2O4, which serves as a benchmark for spinel structural integrity, MgCr4O12 exhibits a more complex and potentially unstable thermodynamic landscape. While simple binary oxides like NiO or ZnO are frequently employed for their robust catalytic performance, MgCr4O12 represents a more specialized, high-order oxide that requires careful synthesis to navigate its metastable nature.
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.
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