Ba4InO8Sb
Ba4InO8Sb is a thermodynamically stable, semiconducting quaternary oxide material.
About Ba4InO8Sb
Ba4InO8Sb is a complex quaternary oxide characterized by its semiconducting electronic nature. As a thermodynamically stable phase residing on the convex hull, it represents a robust crystalline arrangement within the barium-indium-oxygen-antimony system.
This material is of significant interest for materials science research due to its structural integrity and distinct electronic behavior. Its stable configuration makes it a compelling candidate for further exploration in specialized solid-state electronic device architectures.
Key Properties
Cross-validated computational properties for Ba4InO8Sb, 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 Ba4InO8Sb, 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. |
|---|---|---|---|---|---|
| Cmmm (No. 65) | orthorhombic | 2.37 | 0.0000 | -6.548 | 6.28 |
| Cmmm (No. 65) | — | — | — | — | — |
| — | — | — | — | — | 5.34 |
Applications
Where Ba4InO8Sb is used.
Frequently Asked Questions
Common questions about Ba4InO8Sb, answered from cross-validated data.
What is Ba4InO8Sb?
Ba4InO8Sb is a thermodynamically stable, semiconducting quaternary oxide material.
What is Ba4InO8Sb used for?
What is the band gap of Ba4InO8Sb?
Is Ba4InO8Sb a metal, semiconductor, or insulator?
Is Ba4InO8Sb thermodynamically stable?
What is the crystal structure of Ba4InO8Sb?
What is the density of Ba4InO8Sb?
How many polymorphs of Ba4InO8Sb are known?
What elements does Ba4InO8Sb contain?
Where does the data for Ba4InO8Sb come from?
How It Compares
As a unique quaternary oxide, Ba4InO8Sb occupies a distinct position in materials design, serving as a foundational reference point for future studies into complex barium-based semiconducting oxides.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- nomad — Data from NOMAD. Cite: Draxl & Scheffler, J. Phys. Mater. 2, 036001 (2019).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
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