B4Cl2La2O8
B4Cl2La2O8 is a thermodynamically stable, insulating inorganic compound composed of boron, chlorine, lanthanum, and oxygen.
About B4Cl2La2O8
B4Cl2La2O8 is a complex inorganic compound characterized by its insulating electronic nature and high thermodynamic stability. As a member of the borate-halide family, it represents a unique structural arrangement that maintains structural integrity under standard conditions.
Its status as a stable phase on the convex hull makes it a subject of interest for fundamental materials research. The material is primarily studied for its distinct coordination environment, which influences its potential utility in specialized dielectric or optical applications.
Key Properties
Cross-validated computational properties for B4Cl2La2O8, 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.
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.
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.
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
Reported Structures
Lowest-energy structures reported for B4Cl2La2O8, 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. |
|---|---|---|---|---|---|
| P-1 (No. 2) | triclinic | 4.15 | 0.0000 | -8.135 | 3.90 |
| — | — | — | — | — | 3.05 |
| P-1 (No. 2) | — | — | — | — | — |
Applications
Where B4Cl2La2O8 is used.
Frequently Asked Questions
Common questions about B4Cl2La2O8, answered from cross-validated data.
What is B4Cl2La2O8?
B4Cl2La2O8 is a thermodynamically stable, insulating inorganic compound composed of boron, chlorine, lanthanum, and oxygen.
What is B4Cl2La2O8 used for?
What is the band gap of B4Cl2La2O8?
Is B4Cl2La2O8 a metal, semiconductor, or insulator?
Is B4Cl2La2O8 thermodynamically stable?
What is the crystal structure of B4Cl2La2O8?
What is the density of B4Cl2La2O8?
How many polymorphs of B4Cl2La2O8 are known?
What elements does B4Cl2La2O8 contain?
Where does the data for B4Cl2La2O8 come from?
How It Compares
As a unique inorganic phase, B4Cl2La2O8 serves as a distinct example of how lanthanum and boron can integrate with halides to form stable, wide-gap structures. While it currently stands as a singular entry in this specific chemical space, it provides a benchmark for understanding the stability limits of complex oxychloride borates.
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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