As12O4Sr12Ta4
As12O4Sr12Ta4 is a thermodynamically stable semiconducting quaternary compound composed of arsenic, oxygen, strontium, and tantalum.
About As12O4Sr12Ta4
As12O4Sr12Ta4 is a complex inorganic compound characterized by its semiconducting electronic nature. Its position on the thermodynamic convex hull indicates high stability, making it a robust candidate for structural and functional studies in materials science.
This material is of significant interest to researchers investigating novel quaternary systems. Its unique arrangement of arsenic, oxygen, strontium, and tantalum atoms suggests potential utility in specialized electronic or optoelectronic applications where stable, semiconductor-based frameworks are required.
Key Properties
Cross-validated computational properties for As12O4Sr12Ta4, 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 As12O4Sr12Ta4, 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 | 1.50 | 0.0000 | -6.036 | 4.99 |
| Pnma (No. 62) | — | — | — | — | — |
| — | — | — | — | — | 5.00 |
Applications
Where As12O4Sr12Ta4 is used.
Frequently Asked Questions
Common questions about As12O4Sr12Ta4, answered from cross-validated data.
What is As12O4Sr12Ta4?
As12O4Sr12Ta4 is a thermodynamically stable semiconducting quaternary compound composed of arsenic, oxygen, strontium, and tantalum.
What is As12O4Sr12Ta4 used for?
What is the band gap of As12O4Sr12Ta4?
Is As12O4Sr12Ta4 a metal, semiconductor, or insulator?
Is As12O4Sr12Ta4 thermodynamically stable?
What is the crystal structure of As12O4Sr12Ta4?
What is the density of As12O4Sr12Ta4?
How many polymorphs of As12O4Sr12Ta4 are known?
What elements does As12O4Sr12Ta4 contain?
Where does the data for As12O4Sr12Ta4 come from?
How It Compares
As12O4Sr12Ta4 occupies a distinct position within its chemical space as a stable quaternary phase. Unlike simpler binary or ternary oxides, this compound leverages the interplay between its constituent elements to maintain a stable structure while exhibiting semiconducting behavior.
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).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
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