V4As2O13
V4As2O13 is a semiconducting vanadium arsenate compound that is considered a viable candidate for experimental synthesis.
About V4As2O13
V4As2O13 is a semiconducting complex oxide that incorporates vanadium and arsenic within its structural framework. Its electronic properties and structural arrangement suggest potential for specialized applications in solid-state chemistry and materials science.
As a near-hull material, it occupies a favorable position in the thermodynamic landscape, indicating that it is likely synthesizable under controlled laboratory conditions. The existence of multiple reported structures highlights its structural versatility and interest within the research community.
Key Properties
Cross-validated computational properties for V4As2O13, 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 V4As2O13. 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 V4As2O13, 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. |
|---|---|---|---|---|---|
| — | — | 1.45 | 0.0064 | -2.079 | — |
| P1 (No. 1) | triclinic | 1.64 | 0.0197 | -7.937 | 4.45 |
| P1 (No. 1) | triclinic | 0.00 | 0.0752 | -2.029 | — |
| P1 (No. 1) | triclinic | — | — | — | 4.65 |
| P1 (No. 1) | triclinic | — | — | — | 4.19 |
| P1 (No. 1) | triclinic | — | — | — | 4.34 |
Applications
Where V4As2O13 is used.
Frequently Asked Questions
Common questions about V4As2O13, answered from cross-validated data.
What is V4As2O13?
V4As2O13 is a semiconducting vanadium arsenate compound that is considered a viable candidate for experimental synthesis.
What is V4As2O13 used for?
What is the band gap of V4As2O13?
Is V4As2O13 a metal, semiconductor, or insulator?
Is V4As2O13 thermodynamically stable?
How many polymorphs of V4As2O13 are known?
What elements does V4As2O13 contain?
Where does the data for V4As2O13 come from?
How It Compares
As a distinct vanadium-based arsenate, V4As2O13 represents a unique structural motif within the broader family of mixed-metal oxides. While it does not share its specific structural class with other common compounds, its semiconducting nature and stability profile position it as a noteworthy subject for investigating the interplay between transition metal oxides and pnictogen-based polyanions.
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.
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