K8Te12Zr4
K8Te12Zr4 is a thermodynamically stable semiconducting ternary compound containing potassium, tellurium, and zirconium.
About K8Te12Zr4
K8Te12Zr4 is a complex ternary compound composed of potassium, tellurium, and zirconium. As a thermodynamically stable phase residing on the convex hull, it represents a robust structural arrangement within its chemical system. Its electronic character as a semiconductor makes it a subject of interest for researchers investigating specialized electronic and optoelectronic properties.
This material is characterized by a well-defined structural framework, supported by multiple reported entries across major materials databases. Its stability and distinct composition suggest potential utility in fundamental solid-state research, where the interplay between alkali metals, chalcogens, and transition metals is explored to develop functional inorganic materials.
Key Properties
Cross-validated computational properties for K8Te12Zr4, 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 K8Te12Zr4, 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. |
|---|---|---|---|---|---|
| P21/c (No. 14) | monoclinic | 0.37 | 0.0000 | -19.728 | 4.11 |
| — | — | — | — | — | 4.07 |
| — | — | — | — | — | 4.07 |
| — | — | — | — | — | 4.07 |
| P21/c (No. 14) | — | — | — | — | — |
Applications
Where K8Te12Zr4 is used.
Frequently Asked Questions
Common questions about K8Te12Zr4, answered from cross-validated data.
What is K8Te12Zr4?
K8Te12Zr4 is a thermodynamically stable semiconducting ternary compound containing potassium, tellurium, and zirconium.
What is K8Te12Zr4 used for?
What is the band gap of K8Te12Zr4?
Is K8Te12Zr4 a metal, semiconductor, or insulator?
Is K8Te12Zr4 thermodynamically stable?
What is the crystal structure of K8Te12Zr4?
What is the density of K8Te12Zr4?
How many polymorphs of K8Te12Zr4 are known?
What elements does K8Te12Zr4 contain?
Where does the data for K8Te12Zr4 come from?
How It Compares
As a unique ternary phase, K8Te12Zr4 occupies a distinct position in the landscape of potassium-tellurium-zirconium compounds. Unlike more common binary or simple ternary systems, this compound demonstrates significant structural complexity, serving as a benchmark for stability in multi-element chalcogenide architectures.
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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