Ba8Cl28La4
Ba8Cl28La4 is a wide-band-gap insulating inorganic compound that is considered thermodynamically stable and likely synthesizable.
About Ba8Cl28La4
Ba8Cl28La4 is a complex inorganic compound composed of barium, chlorine, and lanthanum. As a wide-band-gap insulator, it exhibits electronic properties characteristic of materials that resist electrical conduction, making it a focus for specialized solid-state applications.
This material is recognized for being near the thermodynamic hull, suggesting that it is likely synthesizable under appropriate laboratory conditions. Its presence in multiple structural databases highlights its significance as a subject of ongoing investigation in materials science.
Key Properties
Cross-validated computational properties for Ba8Cl28La4, 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 Ba8Cl28La4, 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 | 4.15 | 0.0117 | -5.087 | 3.71 |
| C2/c (No. 15) | monoclinic | 3.25 | 0.0443 | -5.055 | 3.85 |
| P21 (No. 4) | monoclinic | 4.24 | 0.0759 | -5.023 | 3.40 |
| C2/c (No. 15) | monoclinic | 4.40 | 0.0881 | -5.011 | 3.39 |
| P21/c (No. 14) | monoclinic | 3.69 | 0.0925 | -5.007 | 3.38 |
| — | — | — | — | — | 3.60 |
| P21/c (No. 14) | — | — | — | — | — |
| — | — | — | — | — | 3.62 |
| — | — | — | — | — | 3.62 |
| — | — | — | — | — | 3.60 |
Frequently Asked Questions
Common questions about Ba8Cl28La4, answered from cross-validated data.
What is Ba8Cl28La4?
Ba8Cl28La4 is a wide-band-gap insulating inorganic compound that is considered thermodynamically stable and likely synthesizable.
What is the band gap of Ba8Cl28La4?
Is Ba8Cl28La4 a metal, semiconductor, or insulator?
Is Ba8Cl28La4 thermodynamically stable?
What is the crystal structure of Ba8Cl28La4?
What is the density of Ba8Cl28La4?
How many polymorphs of Ba8Cl28La4 are known?
What elements does Ba8Cl28La4 contain?
Where does the data for Ba8Cl28La4 come from?
How It Compares
As a unique inorganic phase, Ba8Cl28La4 represents a distinct structural arrangement within the broader landscape of barium-lanthanum-chloride compounds. While it currently stands as a singular entry in this context, its stability profile positions it as a viable candidate for further experimental characterization compared to more unstable or purely theoretical phases.
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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