Bi1Na1Te2
Bi1Na1Te2 is a thermodynamically stable semiconducting material belonging to the bismuth chalcogenide family, primarily researched for its thermoelectric potential.
About Bi1Na1Te2
Bi1Na1Te2 is a semiconducting bismuth chalcogenide that sits firmly on the convex hull, indicating significant thermodynamic stability. As a member of the broader chalcogenide family, it represents a specialized composition designed for efficient energy conversion applications.
Its structural complexity is highlighted by a high number of reported configurations, reflecting its versatility in solid-state chemistry. This material is primarily investigated for its potential to manage heat and electricity, leveraging its unique electronic character to optimize performance in thermoelectric devices.
Key Properties
Cross-validated computational properties for Bi1Na1Te2, aggregated across 2 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 Bi1Na1Te2, 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. |
|---|---|---|---|---|---|
| R-3m (No. 166) | trigonal | 1.07 | 0.0000 | -28.875 | 6.13 |
| P4/mmm (No. 123) | tetragonal | 0.00 | 0.0966 | -28.779 | 6.23 |
| Fm-3m (No. 225) | — | — | — | — | — |
| Immm (No. 71) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| C2/m (No. 12) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| R-3m (No. 166) | — | — | — | — | — |
| Fm-3m (No. 225) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| Imm2 (No. 44) | — | — | — | — | — |
Applications
Where Bi1Na1Te2 is used.
Frequently Asked Questions
Common questions about Bi1Na1Te2, answered from cross-validated data.
What is Bi1Na1Te2?
Bi1Na1Te2 is a thermodynamically stable semiconducting material belonging to the bismuth chalcogenide family, primarily researched for its thermoelectric potential.
What is Bi1Na1Te2 used for?
What is the band gap of Bi1Na1Te2?
Is Bi1Na1Te2 a metal, semiconductor, or insulator?
Is Bi1Na1Te2 thermodynamically stable?
What is the crystal structure of Bi1Na1Te2?
What is the density of Bi1Na1Te2?
How many polymorphs of Bi1Na1Te2 are known?
What elements does Bi1Na1Te2 contain?
Where does the data for Bi1Na1Te2 come from?
How It Compares
Within the bismuth chalcogenide thermoelectrics class.
Within the class of bismuth chalcogenides, Bi1Na1Te2 offers a distinct compositional alternative to the standard Bi2Te3, which remains the most widely utilized benchmark in the field. While materials like Bi2Te3 and Sb2Te3 rely on traditional layered structures, the inclusion of sodium in Bi1Na1Te2 modifies the lattice dynamics and carrier transport properties, positioning it as a compelling candidate for researchers seeking to move beyond conventional binary systems.
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).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
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