Ca1Te2Y1
Ca1Te2Y1 is a semiconducting ternary telluride compound that is theoretically stable enough to be synthesized in a laboratory setting.
About Ca1Te2Y1
Ca1Te2Y1 is a complex ternary compound composed of calcium, yttrium, and tellurium. As a semiconducting material, it exhibits electronic properties that are of significant interest for fundamental solid-state research and potential optoelectronic applications.
Positioned near the thermodynamic hull, this compound is considered a viable target for synthesis. Its structural diversity, evidenced by numerous reported configurations, suggests a flexible lattice capable of accommodating various atomic arrangements, which is essential for tailoring material performance.
Key Properties
Cross-validated computational properties for Ca1Te2Y1, 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 Ca1Te2Y1, 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. |
|---|---|---|---|---|---|
| P2/m (No. 10) | monoclinic | 0.61 | 0.0098 | -5.656 | 4.56 |
| P4/mmm (No. 123) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| F-43m (No. 216) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
| I-4m2 (No. 119) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| Amm2 (No. 38) | — | — | — | — | — |
| R-3m (No. 166) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
| Amm2 (No. 38) | — | — | — | — | — |
| P2/m (No. 10) | — | — | — | — | — |
Applications
Where Ca1Te2Y1 is used.
Frequently Asked Questions
Common questions about Ca1Te2Y1, answered from cross-validated data.
What is Ca1Te2Y1?
Ca1Te2Y1 is a semiconducting ternary telluride compound that is theoretically stable enough to be synthesized in a laboratory setting.
What is Ca1Te2Y1 used for?
What is the band gap of Ca1Te2Y1?
Is Ca1Te2Y1 a metal, semiconductor, or insulator?
Is Ca1Te2Y1 thermodynamically stable?
What is the crystal structure of Ca1Te2Y1?
What is the density of Ca1Te2Y1?
How many polymorphs of Ca1Te2Y1 are known?
What elements does Ca1Te2Y1 contain?
Where does the data for Ca1Te2Y1 come from?
How It Compares
As a unique ternary telluride, Ca1Te2Y1 occupies a distinct niche in materials science. Without direct structural analogs in its immediate class, it serves as a primary example of how combining alkaline earth metals with rare-earth elements and chalcogens can yield stable, semiconducting phases with complex structural landscapes.
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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