Cr4In4O12
This inorganic compound is a complex oxide containing chromium and indium. It is primarily utilized in materials science research to study crystal structures and magnetic properties in solid-state chemistry.
Overview
Key Properties
Cross-validated computational properties for Cr4In4O12, 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.
1.45 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.
0.051 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.
3
3 databases, 1 space group
Crystallography
Reported Structures
Lowest-energy structures reported for Cr4In4O12, 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 | 1.45 | 0.0513 | -7.580 | 6.45 |
| Pnma (No. 62) | — | — | — | — | — |
| — | — | — | — | — | 4.53 |
Uses
Applications
Where Cr4In4O12 is used.
Solid-state physics researchMaterials science experimentationMagnetic property analysis
Reference
Frequently Asked Questions
Common questions about Cr4In4O12, answered from cross-validated data.
What is Cr4In4O12?
This inorganic compound is a complex oxide containing chromium and indium. It is primarily utilized in materials science research to study crystal structures and magnetic properties in solid-state chemistry.
What is Cr4In4O12 used for?
Cr4In4O12 is used in solid-state physics research, materials science experimentation, and magnetic property analysis.
What is the band gap of Cr4In4O12?
Cr4In4O12 has a DFT-computed band gap of 1.45 eV across 3 reported structures.
Is Cr4In4O12 a metal, semiconductor, or insulator?
With a band gap up to 1.45 eV it is a semiconductor.
Is Cr4In4O12 thermodynamically stable?
Cr4In4O12 has a lowest energy above hull of 0.051 eV/atom (metastable).
What is the crystal structure of Cr4In4O12?
The lowest-energy reported polymorph of Cr4In4O12 is orthorhombic symmetry, space group Pnma (No. 62).
What is the density of Cr4In4O12?
The computed density of the ground-state structure of Cr4In4O12 is 6.45 g/cm³.
How many polymorphs of Cr4In4O12 are known?
3 structures of Cr4In4O12 are reported across 3 databases, spanning 1 distinct space group.
What elements does Cr4In4O12 contain?
Cr4In4O12 contains Cr, In, and O (3 elements).
Where does the data for Cr4In4O12 come from?
Cr4In4O12 data is cross-referenced from materials_project, aflow, omat24.
Explore
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).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
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