Ca10O28Te6
Ca10O28Te6 is a thermodynamically stable semiconducting compound containing calcium, oxygen, and tellurium.
About Ca10O28Te6
Ca10O28Te6 is a complex inorganic compound composed of calcium, oxygen, and tellurium. As a thermodynamically stable phase located on the convex hull, it represents a robust structural arrangement within its chemical system.
The material exhibits semiconducting electronic character, making it a subject of interest for fundamental research into electronic structure and solid-state chemistry. Its existence across multiple crystallographic databases highlights its significance as a distinct and well-defined structural entity.
Key Properties
Cross-validated computational properties for Ca10O28Te6, 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 Ca10O28Te6, 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. |
|---|---|---|---|---|---|
| Cmce (No. 64) | orthorhombic | 1.86 | 0.0007 | -6.549 | 4.55 |
| — | — | — | — | — | 4.55 |
| Cmce (No. 64) | — | — | — | — | — |
Applications
Where Ca10O28Te6 is used.
Frequently Asked Questions
Common questions about Ca10O28Te6, answered from cross-validated data.
What is Ca10O28Te6?
Ca10O28Te6 is a thermodynamically stable semiconducting compound containing calcium, oxygen, and tellurium.
What is Ca10O28Te6 used for?
What is the band gap of Ca10O28Te6?
Is Ca10O28Te6 a metal, semiconductor, or insulator?
Is Ca10O28Te6 thermodynamically stable?
What is the crystal structure of Ca10O28Te6?
What is the density of Ca10O28Te6?
How many polymorphs of Ca10O28Te6 are known?
What elements does Ca10O28Te6 contain?
Where does the data for Ca10O28Te6 come from?
How It Compares
As a unique phase within the calcium-oxygen-tellurium system, Ca10O28Te6 serves as a critical reference point for understanding the interplay between alkaline earth metals and tellurite chemistry. Its thermodynamic stability distinguishes it as a preferred structural configuration compared to metastable alternatives in this complex compositional space.
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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