SrAs
SrAs is a thermodynamically stable semimetallic compound containing strontium and arsenic.
About SrAs
SrAs is a binary inorganic compound composed of strontium and arsenic. As a thermodynamically stable phase located on the convex hull, it represents a robust configuration within its chemical system, supported by a significant body of structural data across multiple databases. Its electronic character is defined as near-zero-gap, placing it in the category of semimetallic materials. This electronic profile makes it a subject of interest for researchers investigating materials with unique charge carrier dynamics. While its specific applications are still emerging, its stability and electronic nature position it as a key candidate for fundamental studies in condensed matter physics.
Key Properties
Cross-validated computational properties for SrAs, 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 SrAs. 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 SrAs, 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. |
|---|---|---|---|---|---|
| P-62m (No. 189) | hexagonal | 0.06 | 0.0000 | -1.171 | — |
| P-62m (No. 189) | hexagonal | 0.02 | 0.0000 | -16.195 | 4.34 |
| — | — | 0.00 | 0.0000 | -1.084 | — |
| — | — | 0.00 | 0.2563 | -0.828 | — |
| — | — | 0.00 | 0.3100 | -0.774 | — |
| — | — | 0.00 | 0.3243 | -0.760 | — |
| — | — | 0.00 | 0.3586 | -0.726 | — |
| — | — | 0.00 | 0.3925 | -0.692 | — |
| — | — | 0.00 | 0.4307 | -0.654 | — |
| — | — | 0.00 | 0.7790 | -0.305 | — |
| P-1 (No. 2) | triclinic | — | — | — | 1.46 |
| C2/m (No. 12) | monoclinic | — | — | — | 3.21 |
Applications
Where SrAs is used.
Frequently Asked Questions
Common questions about SrAs, answered from cross-validated data.
What is SrAs?
SrAs is a thermodynamically stable semimetallic compound containing strontium and arsenic.
What is SrAs used for?
What is the band gap of SrAs?
Is SrAs a metal, semiconductor, or insulator?
Is SrAs thermodynamically stable?
What is the crystal structure of SrAs?
How many polymorphs of SrAs are known?
What elements does SrAs contain?
Where does the data for SrAs come from?
How It Compares
As a thermodynamically stable semimetallic phase, SrAs serves as a foundational reference point for strontium-arsenic binary systems, providing a stable structural baseline for comparative studies of related pnictide materials.
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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