VClO
VClO is a stable, semiconducting inorganic compound consisting of vanadium, chlorine, and oxygen that is frequently studied for its structural diversity.
About VClO
VClO is a distinct inorganic compound composed of vanadium, chlorine, and oxygen. As a thermodynamically stable phase residing on the convex hull, it represents a robust structural arrangement that is well-represented in computational databases with numerous reported configurations. Its electronic character is defined as semiconducting, making it an interesting subject for studies involving electronic transport and solid-state chemistry. The material is valued for its stability and structural diversity, providing a platform for exploring vanadium-based chemistry in various environments. Its presence across multiple databases highlights its significance as a stable building block in inorganic materials research.
Key Properties
Cross-validated computational properties for VClO, 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 VClO. 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 VClO, 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. |
|---|---|---|---|---|---|
| — | — | 1.47 | 0.0000 | -2.239 | — |
| Pmmn (No. 59) | orthorhombic | 0.00 | 0.0385 | -1.917 | — |
| Pmmn (No. 59) | orthorhombic | 1.67 | 0.1731 | -7.284 | 3.34 |
| P4mm (No. 99) | tetragonal | 0.00 | 1.4032 | -0.552 | — |
| P-6m2 (No. 187) | hexagonal | 0.00 | 1.5470 | -0.408 | — |
| Pm (No. 6) | monoclinic | 0.00 | 3.4156 | 1.460 | — |
| Pmmn (No. 59) | orthorhombic | — | — | — | 3.45 |
| Cm (No. 8) | monoclinic | — | — | — | 2.84 |
| P3m1 (No. 156) | trigonal | — | — | — | 3.71 |
| Pmmn (No. 59) | orthorhombic | — | — | — | 4.91 |
| Pmmn (No. 59) | orthorhombic | — | — | — | 4.72 |
| Pmmn (No. 59) | orthorhombic | — | — | — | 3.34 |
Applications
Where VClO is used.
Frequently Asked Questions
Common questions about VClO, answered from cross-validated data.
What is VClO?
VClO is a stable, semiconducting inorganic compound consisting of vanadium, chlorine, and oxygen that is frequently studied for its structural diversity.
What is VClO used for?
What is the band gap of VClO?
Is VClO a metal, semiconductor, or insulator?
Is VClO thermodynamically stable?
What is the crystal structure of VClO?
How many polymorphs of VClO are known?
What elements does VClO contain?
Where does the data for VClO come from?
How It Compares
As a unique inorganic phase, VClO occupies a specialized niche in materials research, standing out for its thermodynamic stability and well-documented structural landscape. Without direct structural analogs in its immediate class, it serves as a primary reference point for investigating the interplay between vanadium, chlorine, and oxygen in the solid state.
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)
- 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)
- cod — Data from the Crystallography Open Database (crystallography.net/cod/). Cite: Grazulis et al., J. Appl. Cryst. 42, 726 (2009). (CC0-1.0)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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