Sr3As4
Sr3As4 is a thermodynamically stable semiconducting compound composed of strontium and arsenic.
About Sr3As4
Sr3As4 is a distinct strontium-based arsenide that exhibits semiconducting electronic behavior. As a thermodynamically stable compound residing on the convex hull, it represents a robust phase within the strontium-arsenic binary system.
Its structural complexity is highlighted by multiple reported configurations across various databases, making it a subject of interest for fundamental materials science. This stability and electronic nature suggest potential utility in specialized semiconductor applications where precise control over charge transport is required.
Key Properties
Cross-validated computational properties for Sr3As4, 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 Sr3As4. 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 Sr3As4, 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. |
|---|---|---|---|---|---|
| — | — | 0.71 | 0.0000 | -0.964 | — |
| Fdd2 (No. 43) | orthorhombic | 0.62 | 0.0000 | -16.028 | 4.62 |
| Fdd2 (No. 43) | orthorhombic | 0.57 | 0.0000 | -1.042 | — |
| P1 (No. 1) | triclinic | 0.65 | 0.0062 | -16.022 | 4.56 |
| P1 (No. 1) | triclinic | — | — | — | 4.56 |
| Cc (No. 9) | monoclinic | — | — | — | 4.67 |
| Fdd2 (No. 43) | orthorhombic | — | — | — | 4.71 |
| Cc (No. 9) | monoclinic | — | — | — | 4.68 |
Applications
Where Sr3As4 is used.
Frequently Asked Questions
Common questions about Sr3As4, answered from cross-validated data.
What is Sr3As4?
Sr3As4 is a thermodynamically stable semiconducting compound composed of strontium and arsenic.
What is Sr3As4 used for?
What is the band gap of Sr3As4?
Is Sr3As4 a metal, semiconductor, or insulator?
Is Sr3As4 thermodynamically stable?
What is the crystal structure of Sr3As4?
What is the density of Sr3As4?
How many polymorphs of Sr3As4 are known?
What elements does Sr3As4 contain?
Where does the data for Sr3As4 come from?
How It Compares
As a member of the strontium-arsenic binary family, Sr3As4 serves as a foundational example of how alkaline-earth pnictides can achieve thermodynamic stability while maintaining semiconducting properties. It occupies a unique position in the phase space, providing a stable reference point for understanding the bonding and electronic trends inherent to this class of inorganic materials.
Data sources & attribution
- 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)
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
- cod — Data from the Crystallography Open Database (crystallography.net/cod/). Cite: Grazulis et al., J. Appl. Cryst. 42, 726 (2009). (CC0-1.0)
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