Na8Se12Te4
Na8Se12Te4 is a thermodynamically stable, semiconducting sodium chalcogenide compound.
About Na8Se12Te4
Na8Se12Te4 is a complex sodium-based chalcogenide that exhibits semiconducting electronic behavior. As a thermodynamically stable phase located on the convex hull, it represents a robust crystalline arrangement within its chemical system.
This material is characterized by its structural complexity, supported by multiple reported entries across major materials databases. Its stability and electronic nature make it a subject of interest for researchers investigating the fundamental physics of sodium-chalcogen systems.
Key Properties
Cross-validated computational properties for Na8Se12Te4, 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 Na8Se12Te4, 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/c (No. 15) | monoclinic | 1.20 | 0.0000 | -13.345 | 4.06 |
| P21/c (No. 14) | monoclinic | 1.23 | 0.0035 | -13.341 | 4.15 |
| — | — | — | — | — | 3.88 |
| — | — | — | — | — | 3.90 |
| C2/c (No. 15) | — | — | — | — | — |
| C2/c (No. 15) | — | — | — | — | — |
Applications
Where Na8Se12Te4 is used.
Frequently Asked Questions
Common questions about Na8Se12Te4, answered from cross-validated data.
What is Na8Se12Te4?
Na8Se12Te4 is a thermodynamically stable, semiconducting sodium chalcogenide compound.
What is Na8Se12Te4 used for?
What is the band gap of Na8Se12Te4?
Is Na8Se12Te4 a metal, semiconductor, or insulator?
Is Na8Se12Te4 thermodynamically stable?
What is the crystal structure of Na8Se12Te4?
What is the density of Na8Se12Te4?
How many polymorphs of Na8Se12Te4 are known?
What elements does Na8Se12Te4 contain?
Where does the data for Na8Se12Te4 come from?
How It Compares
As a distinct member of the sodium-chalcogenide family, Na8Se12Te4 occupies a unique position due to its specific stoichiometry and thermodynamic stability. Unlike less stable phases that may decompose or undergo phase transitions, this compound maintains a consistent structural integrity, serving as a reliable reference point for understanding the interplay between sodium, selenium, and tellurium in solid-state chemistry.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
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