hea-bench

dfieser/hea-bench

★ 0 stars HTML API Integration Updated today

Free high-entropy alloy (HEA) and high-entropy oxide calculator: mixing entropy, atomic-size mismatch, VEC, Miedema enthalpy, and the canonical empirical phase-prediction rules. Python library, browser app, desktop app, and MCP server.

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Quick Install

Copy the config for your editor. Some servers may need additional setup — check the README.

Add to claude_desktop_config.json:

{
  "mcpServers": {
    "hea-bench": {
      "command": "npx",
      "args": [
        "-y",
        "dfieser/hea-bench"
      ]
    }
  }
}

README Excerpt

Open, interpretable tools for computing the standard **high-entropy-alloy (HEA) and high-entropy-oxide (HEO) thermodynamic and geometric descriptors** and the classic empirical **phase-prediction rules** — from any composition, with no fitted model and no black box. Every number is a

Topics

calculatorhigh-entropy-alloyshigh-entropy-oxidesmaterials-informaticsmaterials-sciencemcp-servermiedema-modelphase-predictionthermodynamics

hea-bench

Quick Install

README Excerpt

Topics

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