Ba1Te2Y1
Ba1Te2Y1 is a thermodynamically stable semiconducting ternary compound containing barium, tellurium, and yttrium.
About Ba1Te2Y1
Ba1Te2Y1 is a complex ternary compound composed of barium, tellurium, and yttrium. As a thermodynamically stable phase residing on the convex hull, it represents a robust structural arrangement within its chemical system.
This material exhibits semiconducting electronic character, making it an intriguing candidate for specialized electronic or optoelectronic investigations. Its structural complexity is evidenced by the significant number of reported configurations, highlighting its versatility in solid-state chemistry.
Key Properties
Cross-validated computational properties for Ba1Te2Y1, 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 Ba1Te2Y1, 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 | 1.29 | 0.0000 | -5.718 | 5.54 |
| P4mm (No. 99) | — | — | — | — | — |
| Fm-3m (No. 225) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| R3m (No. 160) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| Fm-3m (No. 225) | — | — | — | — | — |
| Amm2 (No. 38) | — | — | — | — | — |
| P2/m (No. 10) | — | — | — | — | — |
| Immm (No. 71) | — | — | — | — | — |
Applications
Where Ba1Te2Y1 is used.
Frequently Asked Questions
Common questions about Ba1Te2Y1, answered from cross-validated data.
What is Ba1Te2Y1?
Ba1Te2Y1 is a thermodynamically stable semiconducting ternary compound containing barium, tellurium, and yttrium.
What is Ba1Te2Y1 used for?
What is the band gap of Ba1Te2Y1?
Is Ba1Te2Y1 a metal, semiconductor, or insulator?
Is Ba1Te2Y1 thermodynamically stable?
What is the crystal structure of Ba1Te2Y1?
What is the density of Ba1Te2Y1?
How many polymorphs of Ba1Te2Y1 are known?
What elements does Ba1Te2Y1 contain?
Where does the data for Ba1Te2Y1 come from?
How It Compares
As a unique ternary phase, Ba1Te2Y1 occupies a distinct position in the landscape of barium-tellurium-yttrium materials, serving as a stable reference point for exploring the electronic and structural diversity of this specific elemental combination.
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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