HEA Explorer¶

High-Entropy Alloy design tool. Compute thermodynamic parameters (ΔS_mix, δ, VEC, Ω), predict phases (FCC/BCC/mixed), Hume-Rothery checks, and screen JARVIS-DFT for matching compositions.

Open App

Overview¶

High-Entropy Alloy design tool. Compute thermodynamic parameters (ΔS_mix, δ, VEC, Ω), predict phases (FCC/BCC/mixed), Hume-Rothery checks, and screen JARVIS-DFT for matching compositions.

Data Source

dft_3d + built-in element property database

Endpoints¶

GET /hea
POST /hea/compute
POST /hea/screen

Request Models: HEAComputeRequest, HEAScreenRequest

Authentication

All POST endpoints require Authorization: Bearer YOUR_TOKEN.

API Example¶

import requests

response = requests.post(
    "https://atomgpt.org/hea/compute",
    headers={
        "Authorization": "Bearer sk-XYZ",
        "accept": "application/json",
        "Content-Type": "application/json",
    },
    json={"jid": "JVASP-1002"},
)
data = response.json()
print(data)

AGAPI Agent¶

from agapi.agents import AGAPIAgent
import os

agent = AGAPIAgent(api_key=os.environ.get("AGAPI_KEY"))
response = agent.query_sync("Show hea explorer for Silicon")
print(response)

Reference¶

Mater. Today 19, 349 (2016)