Ba8Cl28Er4
Ba8Cl28Er4 is a stable, wide-band-gap insulating material containing barium, chlorine, and erbium.
About Ba8Cl28Er4
Ba8Cl28Er4 is a complex inorganic compound composed of barium, chlorine, and erbium. As a wide-band-gap insulator, it exhibits robust electronic properties that make it a subject of interest for fundamental materials research.
This material is thermodynamically stable, occupying a position on the convex hull that indicates a favorable energetic state. Its structural integrity and distinct elemental composition provide a unique platform for studying rare-earth halide systems.
Key Properties
Cross-validated computational properties for Ba8Cl28Er4, 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 Ba8Cl28Er4, 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 | 4.95 | 0.0000 | -5.000 | 4.07 |
| No. 0 | unknown | — | — | — | 1.03 |
| P21/c (No. 14) | — | — | — | — | — |
| No. 0 | unknown | — | — | — | 1.04 |
Applications
Where Ba8Cl28Er4 is used.
Frequently Asked Questions
Common questions about Ba8Cl28Er4, answered from cross-validated data.
What is Ba8Cl28Er4?
Ba8Cl28Er4 is a stable, wide-band-gap insulating material containing barium, chlorine, and erbium.
What is Ba8Cl28Er4 used for?
What is the band gap of Ba8Cl28Er4?
Is Ba8Cl28Er4 a metal, semiconductor, or insulator?
Is Ba8Cl28Er4 thermodynamically stable?
What is the crystal structure of Ba8Cl28Er4?
What is the density of Ba8Cl28Er4?
How many polymorphs of Ba8Cl28Er4 are known?
What elements does Ba8Cl28Er4 contain?
Where does the data for Ba8Cl28Er4 come from?
How It Compares
As a specialized halide system, Ba8Cl28Er4 represents a distinct structural arrangement within the broader landscape of barium-erbium-chlorine compounds. Its stability on the convex hull distinguishes it as a reliable reference point for exploring the electronic and physical behaviors of complex insulating halides.
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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