Ba4Ca4Sn4
Ba4Ca4Sn4 is a stable, semiconducting ternary intermetallic compound composed of barium, calcium, and tin.
About Ba4Ca4Sn4
Ba4Ca4Sn4 is a complex intermetallic compound composed of barium, calcium, and tin. As a thermodynamically stable phase located on the convex hull, it represents a robust structural arrangement of these elements that maintains integrity under standard conditions.
This material exhibits semiconducting electronic character, making it an interesting candidate for electronic and optoelectronic research. Its existence across multiple structural databases highlights its significance as a well-defined phase in the ternary system.
Key Properties
Cross-validated computational properties for Ba4Ca4Sn4, 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 Ba4Ca4Sn4, 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 | 0.24 | 0.0000 | -3.321 | 4.26 |
| Pnma (No. 62) | — | — | — | — | — |
| — | — | — | — | — | 3.24 |
Applications
Where Ba4Ca4Sn4 is used.
Frequently Asked Questions
Common questions about Ba4Ca4Sn4, answered from cross-validated data.
What is Ba4Ca4Sn4?
Ba4Ca4Sn4 is a stable, semiconducting ternary intermetallic compound composed of barium, calcium, and tin.
What is Ba4Ca4Sn4 used for?
What is the band gap of Ba4Ca4Sn4?
Is Ba4Ca4Sn4 a metal, semiconductor, or insulator?
Is Ba4Ca4Sn4 thermodynamically stable?
What is the crystal structure of Ba4Ca4Sn4?
What is the density of Ba4Ca4Sn4?
How many polymorphs of Ba4Ca4Sn4 are known?
What elements does Ba4Ca4Sn4 contain?
Where does the data for Ba4Ca4Sn4 come from?
How It Compares
As a unique ternary intermetallic, Ba4Ca4Sn4 serves as a foundational example of stable phase formation within the barium-calcium-tin system, providing a benchmark for understanding how alkaline earth metals and tin interact to produce semiconducting behavior.
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).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
Analyze Ba4Ca4Sn4 in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 53 integrated data sources.
Explore the Platform →