La4Lu4O12
This compound is a complex oxide containing lanthanum and lutetium. It is primarily studied for its structural properties and potential utility in advanced ceramic materials or optical applications.
LaLuO
Overview
Key Properties
Cross-validated computational properties for La4Lu4O12, 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.
4.45 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.
0.011 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.
3
3 databases, 1 space group
Crystallography
Reported Structures
Lowest-energy structures reported for La4Lu4O12, 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 | 4.45 | 0.0114 | -8.849 | 8.36 |
| — | — | — | — | — | 8.17 |
| Pnma (No. 62) | — | — | — | — | — |
Uses
Applications
Where La4Lu4O12 is used.
Advanced ceramics researchOptical material developmentSolid-state chemistry studies
Reference
Frequently Asked Questions
Common questions about La4Lu4O12, answered from cross-validated data.
What is La4Lu4O12?
This compound is a complex oxide containing lanthanum and lutetium. It is primarily studied for its structural properties and potential utility in advanced ceramic materials or optical applications.
What is La4Lu4O12 used for?
La4Lu4O12 is used in advanced ceramics research, optical material development, and solid-state chemistry studies.
What is the band gap of La4Lu4O12?
La4Lu4O12 has a DFT-computed band gap of 4.45 eV across 3 reported structures.
Is La4Lu4O12 a metal, semiconductor, or insulator?
With a wide band gap up to 4.45 eV it is an insulator / wide-band-gap material.
Is La4Lu4O12 thermodynamically stable?
La4Lu4O12 has a lowest energy above hull of 0.011 eV/atom (near hull (likely stable)).
What is the crystal structure of La4Lu4O12?
The lowest-energy reported polymorph of La4Lu4O12 is orthorhombic symmetry, space group Pnma (No. 62).
What is the density of La4Lu4O12?
The computed density of the ground-state structure of La4Lu4O12 is 8.36 g/cm³.
How many polymorphs of La4Lu4O12 are known?
3 structures of La4Lu4O12 are reported across 3 databases, spanning 1 distinct space group.
What elements does La4Lu4O12 contain?
La4Lu4O12 contains La, Lu, and O (3 elements).
Where does the data for La4Lu4O12 come from?
La4Lu4O12 data is cross-referenced from materials_project, omat24, aflow.
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).
Analyze La4Lu4O12 in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 53 integrated data sources.
Explore the Platform →