Ba1Ga1H1Sn1
Ba1Ga1H1Sn1 is a thermodynamically stable semimetallic quaternary hydride composed of barium, gallium, hydrogen, and tin.
About Ba1Ga1H1Sn1
Ba1Ga1H1Sn1 is a complex quaternary hydride featuring barium, gallium, and tin. It occupies a stable position on the convex hull, indicating significant structural integrity under standard conditions.
This material exhibits a near-zero-gap electronic character, placing it in the semimetallic regime. Its unique composition makes it a subject of interest for fundamental studies in solid-state chemistry and potential electronic device integration.
Key Properties
Cross-validated computational properties for Ba1Ga1H1Sn1, 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 Ba1Ga1H1Sn1, 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. |
|---|---|---|---|---|---|
| P3m1 (No. 156) | trigonal | 0.05 | 0.0000 | -3.629 | 5.46 |
| No. 0 | unknown | — | — | — | 5.48 |
| P3m1 (No. 156) | — | — | — | — | — |
| P3m1 (No. 156) | — | — | — | — | — |
Applications
Where Ba1Ga1H1Sn1 is used.
Frequently Asked Questions
Common questions about Ba1Ga1H1Sn1, answered from cross-validated data.
What is Ba1Ga1H1Sn1?
Ba1Ga1H1Sn1 is a thermodynamically stable semimetallic quaternary hydride composed of barium, gallium, hydrogen, and tin.
What is Ba1Ga1H1Sn1 used for?
What is the band gap of Ba1Ga1H1Sn1?
Is Ba1Ga1H1Sn1 a metal, semiconductor, or insulator?
Is Ba1Ga1H1Sn1 thermodynamically stable?
What is the crystal structure of Ba1Ga1H1Sn1?
What is the density of Ba1Ga1H1Sn1?
How many polymorphs of Ba1Ga1H1Sn1 are known?
What elements does Ba1Ga1H1Sn1 contain?
Where does the data for Ba1Ga1H1Sn1 come from?
How It Compares
As a distinct quaternary phase, Ba1Ga1H1Sn1 represents a specialized structural arrangement within the broader landscape of complex metal hydrides, serving as a benchmark for stability in this chemical space.
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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