AsO3Sb
AsO3Sb is a thermodynamically stable, insulating solid compound containing arsenic, oxygen, and antimony.
About AsO3Sb
AsO3Sb is a thermodynamically stable inorganic compound composed of arsenic, oxygen, and antimony. As a member of this specific elemental group, it exhibits insulating electronic properties, making it a subject of interest for fundamental materials research.
Because it resides on the convex hull, AsO3Sb demonstrates significant structural integrity. Its wide-band-gap nature suggests potential utility in specialized electronic or optical applications where insulating behavior is a critical requirement for performance.
Key Properties
Cross-validated computational properties for AsO3Sb, 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 AsO3Sb. 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 AsO3Sb, 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. |
|---|---|---|---|---|---|
| P21/c (No. 14) | monoclinic | 3.51 | 0.0000 | -6.426 | 4.94 |
| — | — | — | — | — | 6.21 |
| No. 0 | unknown | — | — | — | 1.24 |
| No. 0 | unknown | — | — | — | 2.31 |
| No. 0 | unknown | — | — | — | 1.25 |
Frequently Asked Questions
Common questions about AsO3Sb, answered from cross-validated data.
What is AsO3Sb?
AsO3Sb is a thermodynamically stable, insulating solid compound containing arsenic, oxygen, and antimony.
What is the band gap of AsO3Sb?
Is AsO3Sb a metal, semiconductor, or insulator?
Is AsO3Sb thermodynamically stable?
What is the crystal structure of AsO3Sb?
What is the density of AsO3Sb?
How many polymorphs of AsO3Sb are known?
What elements does AsO3Sb contain?
Where does the data for AsO3Sb come from?
How It Compares
As a unique inorganic compound, AsO3Sb occupies a distinct position in materials science, serving as a stable reference point for studying the interactions between arsenic, antimony, and oxygen in solid-state systems.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
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