BiGaSe
BiGaSe is a semiconducting bismuth chalcogenide compound investigated primarily for its structural properties in thermoelectric material research.
About BiGaSe
BiGaSe is an inorganic compound categorized within the bismuth chalcogenide family of thermoelectric materials. As a semiconducting phase, it represents a complex ternary system that has been the subject of structural investigation across multiple computational databases.
While its thermodynamic stability indicates it resides above the hull, the compound remains a point of interest for researchers studying the compositional space of chalcogenide-based semiconductors. Its existence in several reported structural configurations highlights the diverse bonding environments possible within this chemical class.
Key Properties
Cross-validated computational properties for BiGaSe, 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 BiGaSe, 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. |
|---|---|---|---|---|---|
| I4/mcm (No. 140) | tetragonal | 0.16 | 0.5423 | -28.003 | 4.54 |
| I4/mcm (No. 140) | tetragonal | 0.00 | 0.5640 | -27.982 | 4.61 |
| P21/c (No. 14) | — | — | — | — | — |
| — | — | — | — | — | 6.52 |
| — | — | — | — | — | 6.52 |
Applications
Where BiGaSe is used.
Frequently Asked Questions
Common questions about BiGaSe, answered from cross-validated data.
What is BiGaSe?
BiGaSe is a semiconducting bismuth chalcogenide compound investigated primarily for its structural properties in thermoelectric material research.
What is BiGaSe used for?
What is the band gap of BiGaSe?
Is BiGaSe a metal, semiconductor, or insulator?
Is BiGaSe thermodynamically stable?
What is the crystal structure of BiGaSe?
What is the density of BiGaSe?
How many polymorphs of BiGaSe are known?
What elements does BiGaSe contain?
Where does the data for BiGaSe come from?
How It Compares
Within the bismuth chalcogenide thermoelectrics class.
Unlike the highly stable and widely utilized Bi2Te3 or Bi2Se3, which serve as the industry standards for thermoelectric applications, BiGaSe is a less conventional member of the class. It lacks the robust thermodynamic stability found in established binary chalcogenides like Sb2Te3, placing it in a category of exploratory materials that require further synthesis validation compared to more mature compounds like Ge2Sb2Te5.
Related Compounds
Other Bismuth Chalcogenide Thermoelectrics in the database.
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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