Mn2CrO6
This compound is a complex oxide containing manganese and chromium. It is primarily studied in materials science research for its magnetic and structural properties in the solid state.
Overview
Key Properties
Cross-validated computational properties for Mn2CrO6, 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.
0.72 eV
Range across DFT structures
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.
0.083 eV/atom
Best (lowest) across sources
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.
Metastable
2 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
10
3 databases, 2 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for Mn2CrO6, 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. |
|---|---|---|---|---|---|
| Cmce (No. 64) | orthorhombic | 0.72 | 0.0835 | -8.221 | 4.00 |
| C2/m (No. 12) | monoclinic | 0.00 | 0.0846 | -8.220 | 4.09 |
| C2/m (No. 12) | Monoclinic | — | — | — | 4.09 |
| C2/m (No. 12) | Monoclinic | — | — | — | 4.59 |
| C2/m (No. 12) | Monoclinic | — | — | — | 4.28 |
| Cmce (No. 64) | Orthorhombic | — | — | — | 4.18 |
| Cmce (No. 64) | — | — | — | — | — |
| Cmce (No. 64) | — | — | — | — | — |
| Cmce (No. 64) | Orthorhombic | — | — | — | 4.00 |
| Cmce (No. 64) | Orthorhombic | — | — | — | 4.49 |
Uses
Applications
Where Mn2CrO6 is used.
Materials science researchSolid-state physics studiesMagnetic material development
Reference
Frequently Asked Questions
Common questions about Mn2CrO6, answered from cross-validated data.
What is Mn2CrO6?
This compound is a complex oxide containing manganese and chromium. It is primarily studied in materials science research for its magnetic and structural properties in the solid state.
More questions
What is Mn2CrO6 used for?
Mn2CrO6 is used in materials science research, solid-state physics studies, and magnetic material development.
What is the band gap of Mn2CrO6?
Mn2CrO6 has a DFT-computed band gap of 0.72 eV across 10 reported structures.
Is Mn2CrO6 a metal, semiconductor, or insulator?
With a band gap up to 0.72 eV it is a semiconductor.
Is Mn2CrO6 thermodynamically stable?
Mn2CrO6 has a lowest energy above hull of 0.083 eV/atom (metastable).
What is the crystal structure of Mn2CrO6?
The lowest-energy reported polymorph of Mn2CrO6 is orthorhombic symmetry, space group Cmce (No. 64).
What is the density of Mn2CrO6?
The computed density of the ground-state structure of Mn2CrO6 is 4.00 g/cm³.
How many polymorphs of Mn2CrO6 are known?
10 structures of Mn2CrO6 are reported across 3 databases, spanning 2 distinct space groups.
What elements does Mn2CrO6 contain?
Mn2CrO6 contains Cr, Mn, and O (3 elements).
Where does the data for Mn2CrO6 come from?
Mn2CrO6 data is cross-referenced from materials_project, mpaloe, jarvis.
Explore
Related Compounds
Other Oxide Oxygen-Evolution 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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