MgCr4O8
MgCr4O8 is a semiconducting spinel oxide often studied for its potential catalytic properties and complex structural behavior.
About MgCr4O8
MgCr4O8 is a semiconducting oxide that belongs to the spinel class of materials. Its structural complexity is highlighted by a significant number of reported configurations, reflecting the diverse ways these elements can arrange within a crystalline lattice.
While it shares the spinel framework, the compound is characterized as being above the thermodynamic hull, suggesting it is a metastable phase. This makes it a subject of interest for researchers investigating non-equilibrium synthesis pathways and the catalytic potential of complex oxide architectures.
Key Properties
Cross-validated computational properties for MgCr4O8, 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 MgCr4O8, 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. |
|---|---|---|---|---|---|
| Imm2 (No. 44) | orthorhombic | 0.60 | 0.1094 | -8.392 | 3.98 |
| Cm (No. 8) | monoclinic | 0.00 | 0.1230 | -8.378 | 3.99 |
| R-3m (No. 166) | trigonal | 0.00 | 0.1282 | -8.373 | 3.97 |
| R-3m (No. 166) | trigonal | 0.00 | 0.1615 | -8.340 | 4.04 |
| R3m (No. 160) | trigonal | 0.00 | 0.1784 | -8.323 | 4.08 |
| C2 (No. 5) | monoclinic | 0.20 | 0.1824 | -8.319 | 4.34 |
| Cm (No. 8) | monoclinic | 0.29 | 0.2220 | -8.279 | 4.03 |
| P2 (No. 3) | monoclinic | 0.00 | 0.2401 | -8.261 | 4.49 |
| P1 (No. 1) | triclinic | 1.11 | 0.2584 | -8.243 | 3.98 |
| Imm2 (No. 44) | orthorhombic | 0.46 | 0.2602 | -8.241 | 4.08 |
| P1 (No. 1) | triclinic | 0.09 | 0.2888 | -8.212 | 4.49 |
| P1 (No. 1) | triclinic | 0.77 | 0.3135 | -8.188 | 4.37 |
Applications
Where MgCr4O8 is used.
Frequently Asked Questions
Common questions about MgCr4O8, answered from cross-validated data.
What is MgCr4O8?
MgCr4O8 is a semiconducting spinel oxide often studied for its potential catalytic properties and complex structural behavior.
What is MgCr4O8 used for?
What is the band gap of MgCr4O8?
Is MgCr4O8 a metal, semiconductor, or insulator?
Is MgCr4O8 thermodynamically stable?
What is the crystal structure of MgCr4O8?
What is the density of MgCr4O8?
How many polymorphs of MgCr4O8 are known?
What elements does MgCr4O8 contain?
Where does the data for MgCr4O8 come from?
How It Compares
Within the spinel oxide catalysts class.
Within the broad category of spinel and related oxide catalysts, MgCr4O8 occupies a distinct niche compared to more common, highly stable insulators like MgAl2O4 or simple binary oxides such as ZnO and NiO. Unlike the robust and widely utilized MgAl2O4, this compound exhibits unique electronic properties that position it as a specialized candidate for catalytic studies rather than a structural standard.
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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