SrAs
Strontium monoarsenide is a binary inorganic compound composed of strontium and arsenic. It is primarily utilized in specialized materials science research, particularly in the study of pnictide compounds and their electronic properties.
AsSr
Overview
Key Properties
Cross-validated computational properties for SrAs, aggregated across 4 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.
0.02 eV
Range across DFT structures
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.
0.000 eV/atom
Best (lowest) across sources
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.
On hull (stable)
2 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
48
4 databases, 10 space groups
Crystallography
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 | 0.02 | 0.0000 | -16.195 | 4.34 |
| P-1 (No. 2) | Triclinic | — | — | — | 3.56 |
| P2/m (No. 10) | Monoclinic | — | — | — | 3.09 |
| P2/m (No. 10) | Monoclinic | — | — | — | 3.26 |
| P-62m (No. 189) | — | — | — | — | — |
| Cm (No. 8) | Monoclinic | — | — | — | 4.37 |
| P1 (No. 1) | Triclinic | — | — | — | 4.64 |
| P-1 (No. 2) | Triclinic | — | — | — | 2.27 |
| P-1 (No. 2) | Triclinic | — | — | — | 3.88 |
| P-1 (No. 2) | Triclinic | — | — | — | 4.67 |
| P-1 (No. 2) | Triclinic | — | — | — | 4.95 |
| P-1 (No. 2) | Triclinic | — | — | — | 3.11 |
Uses
Applications
Where SrAs is used.
Materials science researchSolid-state chemistry studiesSemiconductor development
Reference
Frequently Asked Questions
Common questions about SrAs, answered from cross-validated data.
What is SrAs?
Strontium monoarsenide is a binary inorganic compound composed of strontium and arsenic. It is primarily utilized in specialized materials science research, particularly in the study of pnictide compounds and their electronic properties.
More questions
What is SrAs used for?
SrAs is used in materials science research, solid-state chemistry studies, and semiconductor development.
What is the band gap of SrAs?
SrAs has a DFT-computed band gap of 0.02 eV across 48 reported structures.
Is SrAs a metal, semiconductor, or insulator?
With a near-zero band gap it behaves as a (semi)metal.
Is SrAs thermodynamically stable?
Yes — SrAs sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of SrAs?
The lowest-energy reported polymorph of SrAs is hexagonal symmetry, space group P-62m (No. 189).
What is the density of SrAs?
The computed density of the ground-state structure of SrAs is 4.34 g/cm³.
How many polymorphs of SrAs are known?
48 structures of SrAs are reported across 4 databases, spanning 10 distinct space groups.
What elements does SrAs contain?
SrAs contains As and Sr (2 elements).
Where does the data for SrAs come from?
SrAs data is cross-referenced from materials_project, mpaloe, jarvis.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
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