BaLa2Cl8
BaLa2Cl8 is a metastable, insulating halide compound used primarily in academic research regarding structural diversity in complex ionic materials.
About BaLa2Cl8
BaLa2Cl8 is a complex halide material characterized by its insulating electronic nature. As a wide-band-gap compound, it is primarily of interest for fundamental studies into ionic crystal lattices and halide-based solid-state chemistry.
Because it is considered metastable, this compound represents a unique synthetic challenge. Its existence across multiple structural databases highlights its significance as a subject of ongoing investigation in materials informatics and structural characterization.
Key Properties
Cross-validated computational properties for BaLa2Cl8, 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 BaLa2Cl8, 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/m (No. 12) | monoclinic | 3.68 | 0.0360 | -5.275 | 3.78 |
| C2/c (No. 15) | monoclinic | 3.98 | 0.0578 | -5.253 | 2.70 |
| I-4 (No. 82) | tetragonal | 3.84 | 0.0788 | -5.232 | 3.33 |
| C2/m (No. 12) | Monoclinic | — | — | — | 3.78 |
| C2/m (No. 12) | Monoclinic | — | — | — | 3.87 |
| C2/m (No. 12) | Monoclinic | — | — | — | 3.85 |
| I-4 (No. 82) | — | — | — | — | — |
| C2/c (No. 15) | Monoclinic | — | — | — | 2.75 |
| C2/c (No. 15) | Monoclinic | — | — | — | 2.75 |
| C2/c (No. 15) | Monoclinic | — | — | — | 2.70 |
Applications
Where BaLa2Cl8 is used.
Frequently Asked Questions
Common questions about BaLa2Cl8, answered from cross-validated data.
What is BaLa2Cl8?
BaLa2Cl8 is a metastable, insulating halide compound used primarily in academic research regarding structural diversity in complex ionic materials.
What is BaLa2Cl8 used for?
What is the band gap of BaLa2Cl8?
Is BaLa2Cl8 a metal, semiconductor, or insulator?
Is BaLa2Cl8 thermodynamically stable?
What is the crystal structure of BaLa2Cl8?
What is the density of BaLa2Cl8?
How many polymorphs of BaLa2Cl8 are known?
What elements does BaLa2Cl8 contain?
Where does the data for BaLa2Cl8 come from?
How It Compares
As a specialized halide compound, BaLa2Cl8 occupies a distinct niche in materials science where its metastability and wide-gap electronic profile differentiate it from more common, highly stable ionic salts.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
Analyze BaLa2Cl8 in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 53 integrated data sources.
Explore the Platform →