MgCrO3
MgCrO3 is a semiconducting spinel oxide often studied for its potential catalytic properties and structural characteristics.
About MgCrO3
MgCrO3 is a semiconducting oxide that belongs to the broader family of spinel-structured materials. Its electronic properties make it a subject of interest for researchers investigating charge transport and catalytic activity in complex transition metal oxides. Although it is currently recognized as being above the thermodynamic hull, it remains a point of interest for synthetic studies aiming to stabilize metastable phases for advanced applications. The material is primarily studied within the context of fundamental materials science, where its structural versatility is explored to understand how magnesium and chromium cations influence catalytic performance. Its presence in multiple databases highlights its importance as a candidate for experimental synthesis and characterization within the spinel oxide class.
Key Properties
Cross-validated computational properties for MgCrO3, aggregated across 4 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 MgCrO3, 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. |
|---|---|---|---|---|---|
| Pnma (No. 62) | orthorhombic | 0.23 | 0.1205 | -7.611 | 4.26 |
| Pm (No. 6) | monoclinic | 0.95 | 0.1716 | -7.560 | 2.72 |
| Pm (No. 6) | Monoclinic | — | — | — | 2.72 |
| Pm (No. 6) | Monoclinic | — | — | — | 2.98 |
| Pm (No. 6) | Monoclinic | — | — | — | 2.83 |
| Pnma (No. 62) | Orthorhombic | — | — | — | 4.64 |
| Pnma (No. 62) | — | — | — | — | — |
| Pnma (No. 62) | Orthorhombic | — | — | — | 4.26 |
| Pnma (No. 62) | Orthorhombic | — | — | — | 4.46 |
| No. 0 | unknown | — | — | — | 0.79 |
Applications
Where MgCrO3 is used.
Frequently Asked Questions
Common questions about MgCrO3, answered from cross-validated data.
What is MgCrO3?
MgCrO3 is a semiconducting spinel oxide often studied for its potential catalytic properties and structural characteristics.
What is MgCrO3 used for?
What is the band gap of MgCrO3?
Is MgCrO3 a metal, semiconductor, or insulator?
Is MgCrO3 thermodynamically stable?
What is the crystal structure of MgCrO3?
What is the density of MgCrO3?
How many polymorphs of MgCrO3 are known?
What elements does MgCrO3 contain?
Where does the data for MgCrO3 come from?
How It Compares
Within the spinel oxide catalysts class.
Unlike highly stable and widely utilized spinel oxides such as MgAl2O4, which serves as a robust structural reference, MgCrO3 occupies a more precarious thermodynamic position. While simple binary oxides like NiO or ZnO are standard benchmarks for catalytic activity, MgCrO3 represents a more complex, potentially metastable alternative that researchers investigate to push the boundaries of catalytic design beyond traditional, highly stable systems.
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).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
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