Ba8Cl28Gd4
Ba8Cl28Gd4 is a thermodynamically stable semiconducting compound containing barium, chlorine, and gadolinium.
About Ba8Cl28Gd4
Ba8Cl28Gd4 is a complex halide compound composed of barium, chlorine, and gadolinium. As a thermodynamically stable phase located on the convex hull, it represents a robust crystalline arrangement that maintains structural integrity under standard conditions.
This material exhibits semiconducting electronic character, positioning it as a candidate for specialized optoelectronic or solid-state research. Its unique stoichiometry and elemental composition make it an interesting subject for investigating the interplay between rare-earth ions and alkaline-earth halide lattices.
Key Properties
Cross-validated computational properties for Ba8Cl28Gd4, 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 Ba8Cl28Gd4, 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 | 1.56 | 0.0000 | -5.958 | 3.93 |
| No. 0 | unknown | — | — | — | 1.01 |
| P21/c (No. 14) | — | — | — | — | — |
Applications
Where Ba8Cl28Gd4 is used.
Frequently Asked Questions
Common questions about Ba8Cl28Gd4, answered from cross-validated data.
What is Ba8Cl28Gd4?
Ba8Cl28Gd4 is a thermodynamically stable semiconducting compound containing barium, chlorine, and gadolinium.
What is Ba8Cl28Gd4 used for?
What is the band gap of Ba8Cl28Gd4?
Is Ba8Cl28Gd4 a metal, semiconductor, or insulator?
Is Ba8Cl28Gd4 thermodynamically stable?
What is the crystal structure of Ba8Cl28Gd4?
What is the density of Ba8Cl28Gd4?
How many polymorphs of Ba8Cl28Gd4 are known?
What elements does Ba8Cl28Gd4 contain?
Where does the data for Ba8Cl28Gd4 come from?
How It Compares
As a distinct halide phase, Ba8Cl28Gd4 serves as a unique representative of its chemical family. It provides a stable structural framework that highlights the potential for tuning electronic properties within complex barium-gadolinium-chlorine systems.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
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