FeCuO2
This compound is a mixed-metal oxide containing iron and copper. It is primarily studied by researchers investigating magnetic properties and advanced electronic materials for potential future technologies.
Overview
Key Properties
Cross-validated computational properties for FeCuO2, 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.
0.80 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.
18
3 databases, 5 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for FeCuO2, 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. |
|---|---|---|---|---|---|
| R-3m (No. 166) | trigonal | 0.80 | 0.0000 | -6.937 | 6.22 |
| P63/mmc (No. 194) | hexagonal | 0.00 | 0.0051 | -6.932 | 5.57 |
| P63/mmc (No. 194) | Hexagonal | — | — | — | 5.35 |
| R-3m (No. 166) | Trigonal | — | — | — | 5.64 |
| Cm (No. 8) | Monoclinic | — | — | — | 6.00 |
| P63/mmc (No. 194) | Hexagonal | — | — | — | 5.52 |
| C2/m (No. 12) | Monoclinic | — | — | — | 5.74 |
| P1 (No. 1) | Triclinic | — | — | — | 4.88 |
| P63/mmc (No. 194) | Hexagonal | — | — | — | 5.67 |
| P63/mmc (No. 194) | — | — | — | — | — |
| R-3m (No. 166) | Trigonal | — | — | — | 5.52 |
| R-3m (No. 166) | Trigonal | — | — | — | 5.36 |
Uses
Applications
Where FeCuO2 is used.
Materials science researchSolid-state physics studiesMagnetic material development
Reference
Frequently Asked Questions
Common questions about FeCuO2, answered from cross-validated data.
What is FeCuO2?
This compound is a mixed-metal oxide containing iron and copper. It is primarily studied by researchers investigating magnetic properties and advanced electronic materials for potential future technologies.
More questions
What is FeCuO2 used for?
FeCuO2 is used in materials science research, solid-state physics studies, and magnetic material development.
What is the band gap of FeCuO2?
FeCuO2 has a DFT-computed band gap of 0.80 eV across 18 reported structures.
Is FeCuO2 a metal, semiconductor, or insulator?
With a band gap up to 0.80 eV it is a semiconductor.
Is FeCuO2 thermodynamically stable?
Yes — FeCuO2 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of FeCuO2?
The lowest-energy reported polymorph of FeCuO2 is trigonal symmetry, space group R-3m (No. 166).
What is the density of FeCuO2?
The computed density of the ground-state structure of FeCuO2 is 6.22 g/cm³.
How many polymorphs of FeCuO2 are known?
18 structures of FeCuO2 are reported across 3 databases, spanning 5 distinct space groups.
What elements does FeCuO2 contain?
FeCuO2 contains Cu, Fe, and O (3 elements).
Where does the data for FeCuO2 come from?
FeCuO2 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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