Ba4Co4Ho8O20
Ba4Co4Ho8O20 is a metastable semiconducting quaternary oxide containing barium, cobalt, and holmium.
About Ba4Co4Ho8O20
Ba4Co4Ho8O20 is a complex quaternary oxide composed of barium, cobalt, holmium, and oxygen. As a semiconducting material, it represents a specialized structural arrangement within the broader family of rare-earth cobaltates, characterized by its distinct electronic behavior and specific atomic coordination. The compound is considered metastable, reflecting the delicate balance of its constituent elements. Its existence across multiple structural reports highlights its interest to researchers investigating the synthesis and stability of complex transition metal oxides.
Key Properties
Cross-validated computational properties for Ba4Co4Ho8O20, 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 Ba4Co4Ho8O20, 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. |
|---|---|---|---|---|---|
| Pnma (No. 62) | orthorhombic | 1.27 | 0.0719 | -7.864 | 8.00 |
| — | — | — | — | — | 6.51 |
| Pnma (No. 62) | — | — | — | — | — |
Applications
Where Ba4Co4Ho8O20 is used.
Frequently Asked Questions
Common questions about Ba4Co4Ho8O20, answered from cross-validated data.
What is Ba4Co4Ho8O20?
Ba4Co4Ho8O20 is a metastable semiconducting quaternary oxide containing barium, cobalt, and holmium.
What is Ba4Co4Ho8O20 used for?
What is the band gap of Ba4Co4Ho8O20?
Is Ba4Co4Ho8O20 a metal, semiconductor, or insulator?
Is Ba4Co4Ho8O20 thermodynamically stable?
What is the crystal structure of Ba4Co4Ho8O20?
What is the density of Ba4Co4Ho8O20?
How many polymorphs of Ba4Co4Ho8O20 are known?
What elements does Ba4Co4Ho8O20 contain?
Where does the data for Ba4Co4Ho8O20 come from?
How It Compares
As a unique quaternary oxide, Ba4Co4Ho8O20 occupies a niche position in materials science where the interplay between holmium and cobalt ions dictates its semiconducting nature. Without direct structural siblings in this specific stoichiometry, it serves as an important reference point for understanding how rare-earth elements influence the stability and electronic properties of complex barium-based oxide frameworks.
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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