Ba8Cd4Te12
Ba8Cd4Te12 is a semiconducting ternary telluride compound that is theoretically stable and of interest for materials science research.
About Ba8Cd4Te12
Ba8Cd4Te12 is a complex ternary telluride characterized by its semiconducting electronic behavior. Its structural configuration and chemical composition place it within a specialized category of chalcogenide materials that are frequently investigated for their unique physical properties and potential for electronic applications. The compound is considered to be near the thermodynamic hull, suggesting that it is a viable candidate for experimental synthesis and laboratory characterization. Its existence across multiple structural databases underscores its relevance in the ongoing study of barium-cadmium-tellurium systems.
Key Properties
Cross-validated computational properties for Ba8Cd4Te12, aggregated across 4 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 Ba8Cd4Te12, 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 | 1.40 | 0.0202 | -3.904 | 5.47 |
| Pnma (No. 62) | — | — | — | — | — |
| Pnma (No. 62) | — | — | — | — | — |
| No. 0 | unknown | — | — | — | 1.43 |
| Pnma (No. 62) | — | — | — | — | — |
Applications
Where Ba8Cd4Te12 is used.
Frequently Asked Questions
Common questions about Ba8Cd4Te12, answered from cross-validated data.
What is Ba8Cd4Te12?
Ba8Cd4Te12 is a semiconducting ternary telluride compound that is theoretically stable and of interest for materials science research.
What is Ba8Cd4Te12 used for?
What is the band gap of Ba8Cd4Te12?
Is Ba8Cd4Te12 a metal, semiconductor, or insulator?
Is Ba8Cd4Te12 thermodynamically stable?
What is the crystal structure of Ba8Cd4Te12?
What is the density of Ba8Cd4Te12?
How many polymorphs of Ba8Cd4Te12 are known?
What elements does Ba8Cd4Te12 contain?
Where does the data for Ba8Cd4Te12 come from?
How It Compares
As a distinct ternary phase, Ba8Cd4Te12 represents a specific structural arrangement within the broader family of semiconducting tellurides. While its precise role is still being defined by researchers, it serves as an important benchmark for understanding how barium and cadmium cations influence the stability and electronic landscape of tellurium-based frameworks.
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).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
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