structure-visual-inspection

name	structure-visual-inspection
description	Use this skill when a task needs visual inspection of atomic structures, adsorption geometries, slab-site context, or image-based sanity checks before or alongside numerical analysis.
license	project-local
compatibility	local
allowed-tools	render_vesta_views read_file execute

structure-visual-inspection

Overview

Use rendered structure views as auxiliary evidence for geometry sanity checks, visual comparison, and reportable artifacts.

Quick Start

1. Call render_vesta_views on the structure and keep the default top, side, and isometric views.
2. Use supercell=[2,2,1] when a slab needs more in-plane adsorption-site context.
3. Inspect the returned inspection_image with read_file.
4. Confirm critical visual claims with numerical geometry analysis.

Allowed tools

• render_vesta_views
• read_file
• execute

Workflow

1. Use render_vesta_views for the report-facing and model-facing image artifact. The tool exports standardized top, side, and isometric VESTA views plus a labeled panel and metadata JSON.
2. Use the original cell first. For slab adsorption-site interpretation, repeat only in plane with supercell=[2,2,1]; do not repeat the vacuum direction merely to fill the image.
3. Use read_file with a narrow question for orientation sanity checks, obvious clashes, site-family ambiguity, termination context, or pre/post-relax comparison.
4. When comparing candidates, keep views, supercell, image_scale, and display_width_angstrom aligned unless the report records why one structure needed different framing.
5. If VESTA is unavailable, report the missing installation/configuration instead of silently presenting the Matplotlib helper as VESTA output. The local code/render_structure_panel.py remains a lightweight diagnostic fallback when the user explicitly accepts it.

Method-critical defaults

• Visual evidence is never a substitute for exact bond lengths, coordination metrics, adsorption energies, or thermodynamic quantities.
• For slab-site interpretation, supercell context can materially change what looks like bridge/hollow/top. Make the chosen supercell explicit when it matters.
• Prefer VESTA output for report figures and multimodal structure inspection because it preserves familiar atom, bond, cell, lighting, and depth cues.
• If perspective or isometric views suggest a geometry issue, verify it with file-based structures or numeric geometry analysis before changing the workflow.
• Keep rendered legend and element identity explicit; do not infer species from color alone in the final answer.
• VESTA's license requires explicit acknowledgement for drawings used in publications. Preserve the citation recorded in the render metadata.

Output Contract

• Return the main panel image path.
• Return the metadata JSON and any non-default supercell or display-width setting used.
• If the analysis used multiple images, return all image paths referenced in the conclusion.
• State whether the visual conclusion is obvious, tentative, or requires numerical confirmation.
• When image analysis was used, summarize the concrete findings and the main uncertainty.

References

• Use the rendered panel for interpretable reporting artifacts, but keep the final scientific conclusion grounded in structure files and numerical results.