Sr4As2O
Sr4As2O is a stable, semiconducting ternary compound containing strontium, arsenic, and oxygen.
About Sr4As2O
Sr4As2O is a thermodynamically stable inorganic compound that exhibits semiconducting electronic characteristics. Its position on the convex hull indicates a robust structural configuration, making it a subject of interest for researchers investigating complex ternary systems containing strontium, arsenic, and oxygen.
Due to its distinct electronic properties, this material serves as a valuable candidate for fundamental studies in solid-state chemistry. It is particularly relevant for exploring how stoichiometry influences the electronic landscape in strontium-based pnictide-oxide frameworks.
Key Properties
Cross-validated computational properties for Sr4As2O, 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.
Cross-Source DFT Agreement
How well independent DFT databases agree on the thermodynamics of Sr4As2O. Tight agreement means computed properties can be trusted without re-running calculations.
Agreement ScoreA normalized confidence score summarizing how closely independent DFT databases agree. Higher scores mean tighter cross-source agreement.
Hull SpreadDifference between the highest and lowest energy-above-hull values reported by comparable sources. Smaller spread means less thermodynamic disagreement.
Sources ComparedNumber and names of computational sources with comparable entries for this formula.
Space Group ConsensusWhether independent sources predict the same crystal symmetry for the lowest-energy structure.
Reported Structures
Lowest-energy structures reported for Sr4As2O, 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. |
|---|---|---|---|---|---|
| I4/mmm (No. 139) | tetragonal | 1.22 | 0.0000 | -1.775 | — |
| I4/mmm (No. 139) | tetragonal | 1.19 | 0.0000 | -4.710 | 4.44 |
| — | — | 1.44 | 0.0000 | -1.674 | — |
| — | — | 1.30 | 0.0001 | -1.674 | — |
| I4/mmm (No. 139) | tetragonal | — | — | — | 4.44 |
| I4/mmm (No. 139) | tetragonal | — | — | — | 4.37 |
| I4/mmm (No. 139) | tetragonal | — | — | — | 4.46 |
Applications
Where Sr4As2O is used.
Frequently Asked Questions
Common questions about Sr4As2O, answered from cross-validated data.
What is Sr4As2O?
Sr4As2O is a stable, semiconducting ternary compound containing strontium, arsenic, and oxygen.
What is Sr4As2O used for?
What is the band gap of Sr4As2O?
Is Sr4As2O a metal, semiconductor, or insulator?
Is Sr4As2O thermodynamically stable?
What is the crystal structure of Sr4As2O?
How many polymorphs of Sr4As2O are known?
What elements does Sr4As2O contain?
Where does the data for Sr4As2O come from?
How It Compares
As a thermodynamically stable phase, Sr4As2O represents a well-defined structural arrangement within its chemical family. It serves as a foundational example of how alkaline earth metals can integrate with pnictogens and oxygen to form stable, semiconducting architectures.
Data sources & attribution
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
- oqmd — Data from the OQMD (oqmd.org). Cite: Saal et al., JOM 65, 1501 (2013); Kirklin et al., npj Comp. Mater. 1, 15010 (2015). (CC-BY-4.0)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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