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Polymer Explorer

Browse and search crystalline polymer properties by cross-referencing the Polymer Genome database (1,073 entries) with JARVIS-DFT 3D via the reference field. Merges DFT-computed properties (band gaps, mechanical, magnetic) with polymer-specific data (HSE/GGA gaps, dielectric constants from Polymer Genome).

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Overview

Data Source

Polymer Genome (1,073 entries) cross-referenced with JARVIS dft_3d (76K entries) via reference field.

Endpoints

POST /polymer/search — Search materials

curl -X POST "https://atomgpt.org/polymer/search" \
  -H "Authorization: Bearer sk-XYZ" \
  -H "Content-Type: application/json" \
  -d '{"formula": "MoS2"}'
Field Type Description
formula string Chemical formula
jid string JARVIS ID
label string Polymer label substring
elements string Comma-separated elements (all required)
bandgap_min/max float OptB88vdW band gap range (eV)
diel_min/max float Total dielectric constant range

Response: jid, poly_id, formula, label, spg_symbol, bandgap, hse_gap_pg, gga_gap_pg, diel_tot, diel_elec, formation_energy, magmom.

GET /polymer/data/{jid} — Full record

curl "https://atomgpt.org/polymer/data/JVASP-664" \
  -H "Authorization: Bearer sk-XYZ"

Response: Merged fields: JARVIS (bandgap, mbj_bandgap, formation_energy, bulk/shear modulus, epsx/y/z, etc.) + Polymer Genome (poly_id, label, method, src, vol, atom_en, hse_gap, gga_gap, diel_tot, diel_ion, diel_elec) + structure info.

Python Examples

import requests

response = requests.get(
    "https://atomgpt.org/polymer/data/JVASP-1002",
    headers={"Authorization": "Bearer sk-XYZ"},
)
data = response.json()
print(f"{data['formula']} — {data['label']}")
print(f"  JARVIS gap: {data['bandgap']} eV, PG HSE gap: {data['hse_gap_pg']} eV")
print(f"  Dielectric: total={data['diel_tot']}, elec={data['diel_elec']}")

AGAPI Agent

from agapi.agents import AGAPIAgent
import os
agent = AGAPIAgent(api_key=os.environ.get("AGAPI_KEY"))
response = agent.query_sync("Show polymer explorer data")
print(response)

References