Cr2La2O8
This compound is a complex oxide containing lanthanum and chromium. It is primarily utilized in advanced materials research, particularly in the study of magnetic properties and solid-state chemistry.
Overview
Key Properties
Cross-validated computational properties for Cr2La2O8, 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.
1.09 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.
0.003 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.
Near hull (likely 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, 4 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for Cr2La2O8, 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. |
|---|---|---|---|---|---|
| P21/c (No. 14) | monoclinic | 1.09 | 0.0028 | -8.507 | 5.15 |
| P4/nbm (No. 125) | — | — | — | — | — |
| I41/a (No. 88) | — | — | — | — | — |
| I41/a (No. 88) | — | — | — | — | — |
| I41/amd (No. 141) | — | — | — | — | — |
| I41/amd (No. 141) | — | — | — | — | — |
| — | — | — | — | — | 4.59 |
Uses
Applications
Where Cr2La2O8 is used.
Materials science researchSolid-state physics studiesCatalysis research
Reference
Frequently Asked Questions
Common questions about Cr2La2O8, answered from cross-validated data.
What is Cr2La2O8?
This compound is a complex oxide containing lanthanum and chromium. It is primarily utilized in advanced materials research, particularly in the study of magnetic properties and solid-state chemistry.
More questions
What is Cr2La2O8 used for?
Cr2La2O8 is used in materials science research, solid-state physics studies, and catalysis research.
What is the band gap of Cr2La2O8?
Cr2La2O8 has a DFT-computed band gap of 1.09 eV across 7 reported structures.
Is Cr2La2O8 a metal, semiconductor, or insulator?
With a band gap up to 1.09 eV it is a semiconductor.
Is Cr2La2O8 thermodynamically stable?
Cr2La2O8 has a lowest energy above hull of 0.003 eV/atom (near hull (likely stable)).
What is the crystal structure of Cr2La2O8?
The lowest-energy reported polymorph of Cr2La2O8 is monoclinic symmetry, space group P21/c (No. 14).
What is the density of Cr2La2O8?
The computed density of the ground-state structure of Cr2La2O8 is 5.15 g/cm³.
How many polymorphs of Cr2La2O8 are known?
7 structures of Cr2La2O8 are reported across 3 databases, spanning 4 distinct space groups.
What elements does Cr2La2O8 contain?
Cr2La2O8 contains Cr, La, and O (3 elements).
Where does the data for Cr2La2O8 come from?
Cr2La2O8 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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