Ba2Sb3
Ba2Sb3 is a thermodynamically stable semiconducting intermetallic compound formed from barium and antimony.
About Ba2Sb3
Ba2Sb3 is a thermodynamically stable intermetallic compound composed of barium and antimony. As a member of the pnictide family, it exhibits semiconducting electronic characteristics that make it a subject of interest for fundamental solid-state physics and materials science investigations.
Its position on the convex hull confirms its inherent stability, which is supported by extensive structural data across multiple databases. This stability allows researchers to study its electronic behavior in detail, providing insights into the bonding and structural arrangements typical of complex barium-antimony systems.
Key Properties
Cross-validated computational properties for Ba2Sb3, aggregated across 4 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 Ba2Sb3, 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 | 0.32 | 0.0000 | -4.207 | 5.50 |
| R-3m (No. 166) | — | — | — | — | — |
| R-3m (No. 166) | — | — | — | — | — |
| P-3m1 (No. 164) | — | — | — | — | — |
| C2 (No. 5) | Monoclinic | — | — | — | 4.29 |
| R-3m (No. 166) | — | — | — | — | — |
| C2 (No. 5) | Monoclinic | — | — | — | 5.12 |
| C2 (No. 5) | Monoclinic | — | — | — | 4.42 |
| C2/m (No. 12) | Monoclinic | — | — | — | 7.19 |
| C2/m (No. 12) | Monoclinic | — | — | — | 5.18 |
| C2/m (No. 12) | Monoclinic | — | — | — | 5.78 |
| P1 (No. 1) | Triclinic | — | — | — | 2.92 |
Applications
Where Ba2Sb3 is used.
Frequently Asked Questions
Common questions about Ba2Sb3, answered from cross-validated data.
What is Ba2Sb3?
Ba2Sb3 is a thermodynamically stable semiconducting intermetallic compound formed from barium and antimony.
What is Ba2Sb3 used for?
What is the band gap of Ba2Sb3?
Is Ba2Sb3 a metal, semiconductor, or insulator?
Is Ba2Sb3 thermodynamically stable?
What is the crystal structure of Ba2Sb3?
What is the density of Ba2Sb3?
How many polymorphs of Ba2Sb3 are known?
What elements does Ba2Sb3 contain?
Where does the data for Ba2Sb3 come from?
How It Compares
As a stable semiconducting phase, Ba2Sb3 represents a well-defined structural configuration within the barium-antimony binary system. It serves as a benchmark for understanding how stoichiometry influences the electronic properties of pnictide-based materials in the absence of other closely related phases.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
- nomad — Data from NOMAD. Cite: Draxl & Scheffler, J. Phys. Mater. 2, 036001 (2019).
- mpaloe — Data from mpaloe.
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