BiSe2
BiSe2 is a semiconducting bismuth chalcogenide material that is potentially synthesizable and studied for its role in thermoelectric energy research.
About BiSe2
BiSe2 is a semiconducting bismuth chalcogenide that holds significant interest in materials science due to its structural complexity and electronic properties. As a near-hull phase, it is considered a viable candidate for experimental synthesis and further investigation into its physical characteristics.
This compound represents an intriguing member of the chalcogenide family, which is widely recognized for its utility in energy conversion technologies. Its potential for tuning electronic transport makes it a subject of ongoing research for those seeking to optimize performance in thermoelectric devices.
Key Properties
Cross-validated computational properties for BiSe2, aggregated across 5 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.
Cross-Source DFT Agreement
How well independent DFT databases agree on the thermodynamics of BiSe2. Tight agreement means computed properties can be trusted without re-running calculations.
Agreement ScoreA normalized confidence score summarizing how closely independent DFT databases agree. Higher scores mean tighter cross-source agreement.
Hull SpreadDifference between the highest and lowest energy-above-hull values reported by comparable sources. Smaller spread means less thermodynamic disagreement.
Sources ComparedNumber and names of computational sources with comparable entries for this formula.
Space Group ConsensusWhether independent sources predict the same crystal symmetry for the lowest-energy structure.
Reported Structures
Lowest-energy structures reported for BiSe2, 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. |
|---|---|---|---|---|---|
| C2/m (No. 12) | monoclinic | 0.67 | 0.0211 | -29.382 | 7.00 |
| Cm (No. 8) | Monoclinic | — | — | — | 11.90 |
| Fmmm (No. 69) | Orthorhombic | — | — | — | 5.45 |
| Fmmm (No. 69) | Orthorhombic | — | — | — | 7.31 |
| Cm (No. 8) | Monoclinic | — | — | — | 10.98 |
| P-1 (No. 2) | Triclinic | — | — | — | 4.23 |
| P-1 (No. 2) | Triclinic | — | — | — | 6.87 |
| P-3m1 (No. 164) | Trigonal | — | — | — | 6.18 |
| P-3m1 (No. 164) | Trigonal | — | — | — | 3.45 |
| P-3m1 (No. 164) | Trigonal | — | — | — | 4.75 |
| C2/m (No. 12) | Monoclinic | — | — | — | 6.94 |
| Fmmm (No. 69) | Orthorhombic | — | — | — | 10.39 |
Applications
Where BiSe2 is used.
Frequently Asked Questions
Common questions about BiSe2, answered from cross-validated data.
What is BiSe2?
BiSe2 is a semiconducting bismuth chalcogenide material that is potentially synthesizable and studied for its role in thermoelectric energy research.
What is BiSe2 used for?
What is the band gap of BiSe2?
Is BiSe2 a metal, semiconductor, or insulator?
Is BiSe2 thermodynamically stable?
What is the crystal structure of BiSe2?
What is the density of BiSe2?
How many polymorphs of BiSe2 are known?
What elements does BiSe2 contain?
Where does the data for BiSe2 come from?
How It Compares
Within the bismuth chalcogenide thermoelectrics class.
Within the broad class of bismuth chalcogenide thermoelectrics, BiSe2 occupies a unique niche compared to more established compounds like Bi2Se3 or Bi2Te3. While those siblings are frequently utilized as benchmarks for high-efficiency thermoelectric performance, BiSe2 offers a different structural framework that contributes to the diversity of the material system, providing researchers with alternative pathways for exploring charge and heat transport phenomena.
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).
- mpaloe — Data from mpaloe.
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
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