Cr4Mn2O8
This compound is a mixed-metal oxide containing chromium and manganese. It is primarily studied in the context of materials science research for its potential magnetic and electronic properties.
Overview
Key Properties
Cross-validated computational properties for Cr4Mn2O8, 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.
2.20 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.
0.000 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.
On hull (stable)
2 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
7
3 databases, 1 space group
Crystallography
Reported Structures
Lowest-energy structures reported for Cr4Mn2O8, 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 | 2.20 | 0.0000 | -9.231 | 4.90 |
| — | — | — | — | — | 4.64 |
| Fd-3m (No. 227) | — | — | — | — | — |
| — | — | — | — | — | 4.64 |
| Fd-3m (No. 227) | — | — | — | — | — |
| Fd-3m (No. 227) | — | — | — | — | — |
| Fd-3m (No. 227) | — | — | — | — | — |
Uses
Applications
Where Cr4Mn2O8 is used.
Materials science researchSolid-state chemistry studiesMagnetic material development
Reference
Frequently Asked Questions
Common questions about Cr4Mn2O8, answered from cross-validated data.
What is Cr4Mn2O8?
This compound is a mixed-metal oxide containing chromium and manganese. It is primarily studied in the context of materials science research for its potential magnetic and electronic properties.
More questions
What is Cr4Mn2O8 used for?
Cr4Mn2O8 is used in materials science research, solid-state chemistry studies, and magnetic material development.
What is the band gap of Cr4Mn2O8?
Cr4Mn2O8 has a DFT-computed band gap of 2.20 eV across 7 reported structures.
Is Cr4Mn2O8 a metal, semiconductor, or insulator?
With a band gap up to 2.20 eV it is a semiconductor.
Is Cr4Mn2O8 thermodynamically stable?
Yes — Cr4Mn2O8 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of Cr4Mn2O8?
The lowest-energy reported polymorph of Cr4Mn2O8 is cubic symmetry, space group Fd-3m (No. 227).
What is the density of Cr4Mn2O8?
The computed density of the ground-state structure of Cr4Mn2O8 is 4.90 g/cm³.
How many polymorphs of Cr4Mn2O8 are known?
7 structures of Cr4Mn2O8 are reported across 3 databases, spanning 1 distinct space group.
What elements does Cr4Mn2O8 contain?
Cr4Mn2O8 contains Cr, Mn, and O (3 elements).
Where does the data for Cr4Mn2O8 come from?
Cr4Mn2O8 data is cross-referenced from materials_project, omat24, aflow.
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).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
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