Be4La4O10
This compound is a complex oxide containing beryllium and lanthanum. It is primarily studied in materials science research for its structural properties and potential roles in advanced ceramic development.
BeLaO
Overview
Key Properties
Cross-validated computational properties for Be4La4O10, 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.
3.92 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.
0.040 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 Be4La4O10, 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. |
|---|---|---|---|---|---|
| C2/c (No. 15) | monoclinic | 3.92 | 0.0405 | -8.169 | 5.97 |
| — | — | — | — | — | 5.97 |
| C2/c (No. 15) | — | — | — | — | — |
Uses
Applications
Where Be4La4O10 is used.
Materials science researchCeramic development
Reference
Frequently Asked Questions
Common questions about Be4La4O10, answered from cross-validated data.
What is Be4La4O10?
This compound is a complex oxide containing beryllium and lanthanum. It is primarily studied in materials science research for its structural properties and potential roles in advanced ceramic development.
More questions
What is Be4La4O10 used for?
Be4La4O10 is used in materials science research and ceramic development.
What is the band gap of Be4La4O10?
Be4La4O10 has a DFT-computed band gap of 3.92 eV across 3 reported structures.
Is Be4La4O10 a metal, semiconductor, or insulator?
With a wide band gap up to 3.92 eV it is an insulator / wide-band-gap material.
Is Be4La4O10 thermodynamically stable?
Be4La4O10 has a lowest energy above hull of 0.040 eV/atom (metastable).
What is the crystal structure of Be4La4O10?
The lowest-energy reported polymorph of Be4La4O10 is monoclinic symmetry, space group C2/c (No. 15).
What is the density of Be4La4O10?
The computed density of the ground-state structure of Be4La4O10 is 5.97 g/cm³.
How many polymorphs of Be4La4O10 are known?
3 structures of Be4La4O10 are reported across 3 databases, spanning 1 distinct space group.
What elements does Be4La4O10 contain?
Be4La4O10 contains Be, La, and O (3 elements).
Where does the data for Be4La4O10 come from?
Be4La4O10 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).
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