materials-screening

materials-screening is a skill for Claude Code, Codex from beita6969/ScienceClaw. It costs 50 tokens per session (922 once invoked), scanned A, original, MIT.

A workflow for finding and ranking candidate materials using databases, property filters, structural analysis, and stability checks. It is aimed at applications such as batteries, catalysts, and semiconductors.

In plain words
What is it for?
Use it to query materials databases, filter by composition or properties, inspect structures, assess stability, and rank candidates.
Why use it?
It reduces a large list of possible materials to candidates that match specified chemical, structural, and property requirements. The workflow also supports comparing candidates against several criteria.

Skill for Claude CodeCodex

Which agent this was written for is unclear — built for openclaw. Also seen: built for openclaw.

Good fit Use it to query materials databases, filter by composition or properties, inspect structures, assess stability, and rank candidates.

Compare 6 skills from other repositories ↓
Install with agentmods
npx agentmods add skills/beita6969/scienceclaw/materials-screening
Install

Getting it into your agent

One page per mod, every tool's command on it. A separate URL per tool would split the same page into five that compete with each other.

Any agent
npx skills add beita6969/ScienceClaw --skill materials-screening
Clone the repo
git clone --depth 1 https://github.com/beita6969/ScienceClaw

Made for: Claude Code, Codex.

Wrote this? Show the measurements

A badge with what this costs and how it scanned, read live from this page, so it follows the numbers instead of freezing them. Markdown for a README, HTML for a documentation site or a project page.

agentmods badge for materials-screening

README.md
[![agentmods](https://agentmods.dev/badge/skills/beita6969/scienceclaw/materials-screening/github.svg)](https://agentmods.dev/skills/beita6969/scienceclaw/materials-screening)
Your own site
<a href="https://agentmods.dev/skills/beita6969/scienceclaw/materials-screening"><img src="https://agentmods.dev/badge/skills/beita6969/scienceclaw/materials-screening/github.svg" alt="Measured on agentmods" height="20"></a>

Or the 80×15 button, for a site that already has a row of RSS and ATOM ones. Only the verdict fits; the numbers stay here.

agentmods 80×15 button for materials-screening

Your own site · 80×15
<a href="https://agentmods.dev/skills/beita6969/scienceclaw/materials-screening"><img src="https://agentmods.dev/badge/skills/beita6969/scienceclaw/materials-screening.svg" alt="Reviewed on agentmods" width="80" height="20"></a>
Per session 50 Skills are progressive disclosure: only the name and description are preloaded; the body loads when the skill is used.
When invoked 922 The whole file, excluding the scripts and references it only reads on demand.
Security scan A 0 findings. A grade says what 26 rules found in the file — not that it is safe. Third-party audits
  • NVIDIA SkillSpector pass 7 Sept 2026
How audits are shown
Origin original No closer match found in the catalogue.
Token cost

What it costs to keep this loaded

Counted locally with the o200k_base tokenizer, which is exact for GPT models; Claude uses its own tokenizer and its counts differ. Treat this as one consistent yardstick across the catalogue rather than a bill. Prices are per million input tokens.

ModelPer sessionOnce invoked
Fable 5.1 $0.00050 $0.00922
Opus 5 $0.00025 $0.00461
Sonnet 5 $0.00010 $0.00184
Haiku 4.5 $0.00005 $0.00092

Measured 9d ago against content hash cb62cdb8b42d, method: parsed. Prices are Anthropic first-party input rates as of 2026-09-12, from the pricing page.

Security

Grade A, and why

materials-screening scanned grade A with 0 findings against 26 rules in 11 categories — prompt injection, anti-refusal, data exfiltration, privilege escalation, supply chain, agent snooping, system-prompt leakage, SSRF and excessive agency — measured 9d ago.

A static scan of the body, not an audit. Every finding is printed with the line that produced it so you can judge whether it matters here. A mod is markdown that instructs an agent; that is exactly why what it instructs is worth reading.

Nothing flagged

None of the 26 patterns this scan looks for appear in this file: no shell pipes, no recursive deletes, no credential paths, no hidden text, no instruction-override or anti-refusal phrasing, no agent-config snooping. That is not a guarantee, it is the absence of the things that are checkable.

skills/materials-screening/SKILL.md · 97 lines

How it starts

The opening of the file, as written. The whole thing — 97 lines — stays where its author put it; the contents beside it link to each section on GitHub.

Materials Screening (Meta Skill)

This meta-skill orchestrates a computational materials screening pipeline by combining database querying, property-based filtering, structural analysis, and multi-criteria ranking. It coordinates three specialized skills to systematically identify and evaluate candidate materials for target applications.

Workflow

Step 1: Database Search and Candidate Retrieval

Query the Materials Project API to build an initial candidate pool based on application-specific criteria:

  • Chemical system constraints (e.g., Li-containing oxides for battery cathodes)
  • Space group or crystal system requirements
  • Elemental composition filters (include/exclude specific elements)
  • Property range pre-filters (band gap, formation energy, density)

Retrieve structural data (CIF files), computed properties, and literature references for each candidate material.

Step 2: Property-Based Filtering

Apply quantitative property thresholds to narrow the candidate pool:

  • Electronic: Band gap range for semiconductors, metals, or insulators
  • Thermodynamic: Formation energy cutoffs for synthesizability
  • Mechanical: Bulk/shear modulus for structural applications
  • Physical: Density, volume per atom, coordination preferences
  • Magnetic: Magnetic ordering for spintronic applications

Define application-specific filter chains (e.g., for photovoltaics: band gap 1.0-1.8 eV, direct gap preferred, low effective mass).

Step 3: Structure Analysis with Pymatgen

Perform detailed structural characterization on filtered candidates:

  • Symmetry analysis: space group verification, site symmetries
  • Bonding analysis: coordination environments, bond lengths and angles
  • Defect tolerance: vacancy formation energies, anti-site energies
  • Surface analysis: slab models, surface energy estimation
  • Structural similarity: comparison across candidates using fingerprints

Step 4: Stability Assessment

Evaluate thermodynamic and dynamic stability of remaining candidates:

  • Thermodynamic: Energy above the convex hull (Ehull < 25 meV/atom typical)
  • Phase stability: Competing phases, decomposition products
  • Phonon stability: Check for imaginary frequencies indicating dynamic instability
  • Aqueous stability: Pourbaix diagram analysis for electrochemical applications
  • Thermal stability: Estimated decomposition temperatures

Read the full file on GitHub · 97 lines

Changes

What this file has done since we first saw it

Hashed on every crawl. A supply-chain change to an agent config is a question of when, not whether, so the history is kept rather than the latest state alone.

  1. 9d ago First seen · 97 lines · 50 tokens per session scan A cb62cdb8b42d

Subscribe to this mod's changes

materials-screening is a skill published in the GitHub repository beita6969/ScienceClaw (898 stars, last pushed 3mo ago), licensed MIT. It adds 50 tokens to every session and 922 once invoked, about $0.0003 per session on Opus 5. A static security scan graded it A with 0 findings. No closer match exists in the catalogue, so it is treated as the original; first seen 2026-09-03.

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